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
2.0643 0.5183 -1.5502 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8435 0.2025 -0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6148 0.7188 0.6586 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7625 -0.6951 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5831 -0.0889 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4563 -0.7468 -0.6563 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9464 1.1779 0.6063 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1185 1.8007 1.2866 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1930 1.7243 0.3993 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.0064 4.5244 -0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9309 4.3444 0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5956 2.8802 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0792 2.2962 -0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3429 0.2152 -0.2387 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.0386 -1.3162 -0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4498 -0.9827 -0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3698 -2.1112 -0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9723 -3.4221 -0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3656 -0.2354 0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4178 -1.7153 0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7996 -2.1342 1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7891 -1.8467 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6499 4.4398 1.0668 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0927 3.2780 0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7539 2.8342 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0497 1.6701 -1.4752 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1424 0.0728 -0.0615 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.5576 -0.5748 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3498 -1.5029 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5575 -1.9828 0.9428 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3380 -2.8987 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7996 -1.3073 -0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8956 -0.5824 -0.9428 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0885 -1.4995 -1.0665 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5296 -1.8414 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8619 -0.8815 1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8204 -1.6773 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2186 -1.7131 -1.1105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 -0.3398 -0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4868 5.5120 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5296 4.3931 -1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7787 3.7489 -0.2986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3289 4.6755 1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0371 4.9563 0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1999 2.7688 1.4369 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4900 2.3294 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8308 2.8235 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8647 2.3086 -1.4106 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7033 -2.2529 -0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9849 -1.4391 -1.8808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4482 -0.9342 0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8043 -0.0326 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4268 -1.8913 -0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3409 -2.2066 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0921 -3.8879 -0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6659 -3.2484 0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7948 -4.1451 -0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0630 0.0517 -0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6199 0.3770 1.2617 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1314 -2.2901 -0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7133 -1.8863 1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7780 -3.2458 1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0837 -1.6408 2.0715 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6768 -2.5066 0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1409 -0.8055 0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2666 -2.0279 -0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7373 4.2380 1.1123 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2313 4.6606 2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 5.3087 0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0898 3.6022 0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2103 2.4443 1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8758 3.6762 -1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7459 2.5358 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9560 2.0007 -1.7943 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6175 1.3827 -2.3696 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2088 -1.1965 1.9445 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1508 0.2956 1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6204 -0.9511 -0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6699 -2.3177 -0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1941 -2.4833 1.8517 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2056 -1.1185 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5882 -3.4492 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9610 -3.5907 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9228 -2.2481 -0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1576 -1.5552 0.8505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4867 -2.2445 -0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1338 0.3256 -0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4949 -0.2545 -1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7568 -2.4336 -1.5627 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8995 -0.9816 -1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6021 -2.1037 0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2817 -0.9724 1.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8682 -2.6747 0.7027 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