Monomers
2-Methylidenebutanedioate;tributylstannanylium
Identifiers
IUPAC name
2-methylidenebutanedioate;tributylstannanylium
InchI
InChI=1S/C5H6O4.6C4H9.2Sn/c1-3(5(8)9)2-4(6)7;6*1-3-4-2;;/h1-2H2,(H,6,7)(H,8,9);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2
InchI Key
HCYQUDAPBSFLSL-UHFFFAOYSA-L
SMILES
[O-]C(=O)CC(=C)C(=O)[O-].CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC
Canonical SMILES
CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.C=C(CC(=O)[O-])C(=O)[O-]
Isomeric SMILES
CCCC[Sn+](CCCC)CCCC.CCCC[Sn+](CCCC)CCCC.C=C(CC(=O)[O-])C(=O)[O-]
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C29H58O4Sn2
Heavy Atom Count
35
Molecular Weight
708.201
Exact Molecular Weight
710.2379
Valence Electrons
206
Radical Electrons
0
tPSA
80.26
MolLogP
7.1955
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
93 90 0 0 0 0 0 0 0 0999 V2000
2.6374 0.0228 0.9984 O 0 0 0 0 0 1 0 0 0 0 0 0
1.7429 -0.6490 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7517 -1.8913 0.2033 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7908 0.0917 -0.6403 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5546 0.2270 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0561 1.4201 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3242 -0.9435 0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8571 -2.0697 0.0056 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5775 -0.8176 0.7815 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.2109 -2.4900 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0364 -2.9590 1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9704 -1.8917 1.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6021 -1.8007 -0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0734 -0.2895 -0.6911 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.5475 1.6820 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6848 2.5491 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1997 3.9147 0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7538 4.5403 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6026 -0.7427 -1.9093 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7047 -1.4469 -1.1315 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1320 -0.5091 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2324 -1.1186 0.8261 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4334 -2.6991 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4997 -1.1911 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1122 -0.5970 -0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2842 -1.0039 0.9461 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3094 -0.1775 0.8204 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.3174 -1.2884 1.6839 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5037 -1.3304 0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0915 -2.0007 -0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2338 -2.0646 -1.5331 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1185 1.9258 0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2439 2.3074 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2473 3.8128 -0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5691 4.3170 -0.7149 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2256 1.1117 -0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7411 -0.3770 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0426 1.5751 0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4773 2.2996 -0.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1713 -2.8249 0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2533 -1.3674 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1416 -2.8904 -0.7411 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6856 -3.9153 0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3849 -3.1038 2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3642 -0.9338 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0479 -2.1527 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5049 -1.5493 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2608 -2.7833 -0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0471 1.6379 0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2522 2.1490 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1382 2.7086 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3819 2.1398 0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0851 4.5686 0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3292 3.8303 1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5635 5.6143 -0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8241 4.4122 -0.0719 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6724 4.0896 -1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0007 0.1236 -2.4695 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2794 -1.4835 -2.6975 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6025 -1.6005 -1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3877 -2.4186 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5291 0.4265 -0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2409 -0.3574 0.6227 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9046 -1.7039 0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7860 -0.2671 1.2998 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8052 -1.7863 1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0904 -3.0273 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4772 -3.0661 -0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8138 -3.1168 -0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1312 -0.8329 -0.9786 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9232 -0.8633 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6400 -1.0601 -1.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1557 0.4983 -0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2854 -2.0898 1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7915 -0.5375 1.8293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6084 -0.8586 2.6587 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0183 -2.3397 1.8566 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2804 -1.9415 1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9125 -0.3261 0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2111 -1.4840 -0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7663 -3.0408 -0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8636 -2.9705 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8963 -1.1811 -1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8427 -2.1251 -2.5829 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2501 2.4403 1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8731 2.2939 -0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0671 1.9333 0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3229 1.8466 -1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0334 4.3113 0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4853 4.0468 -0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4092 3.8390 -0.1703 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6138 5.4050 -0.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6512 4.2365 -1.7993 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 2 3
5 7 1 0
7 8 2 0
7 9 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
14 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
23 24 1 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
27 32 1 0
32 33 1 0
33 34 1 0
34 35 1 0
4 36 1 0
4 37 1 0
6 38 1 0
6 39 1 0
10 40 1 0
10 41 1 0
10 42 1 0
11 43 1 0
11 44 1 0
12 45 1 0
12 46 1 0
13 47 1 0
13 48 1 0
15 49 1 0
15 50 1 0
16 51 1 0
16 52 1 0
17 53 1 0
17 54 1 0
18 55 1 0
18 56 1 0
18 57 1 0
19 58 1 0
19 59 1 0
20 60 1 0
20 61 1 0
21 62 1 0
21 63 1 0
22 64 1 0
22 65 1 0
22 66 1 0
23 67 1 0
23 68 1 0
23 69 1 0
24 70 1 0
24 71 1 0
25 72 1 0
25 73 1 0
26 74 1 0
26 75 1 0
28 76 1 0
28 77 1 0
29 78 1 0
29 79 1 0
30 80 1 0
30 81 1 0
31 82 1 0
31 83 1 0
31 84 1 0
32 85 1 0
32 86 1 0
33 87 1 0
33 88 1 0
34 89 1 0
34 90 1 0
35 91 1 0
35 92 1 0
35 93 1 0
M CHG 4 1 -1 9 -1 14 1 27 1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers