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
2.6186 -0.8793 0.6248 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8187 -0.1660 -0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2650 0.9305 -0.7349 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4844 -0.6636 -0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6067 0.0020 0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3957 -0.7089 0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7637 1.4317 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7016 1.9812 0.6300 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0009 2.2602 -0.7969 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.5752 -1.9989 -0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4791 -0.5648 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0913 -0.2568 0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0706 -0.5047 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0846 -0.0907 -0.1061 Sn 0 0 0 0 0 3 0 0 0 0 0 0
0.2216 1.4989 1.2992 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4005 2.7906 0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2159 3.2058 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7001 3.4189 -0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4604 -1.6075 -0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7816 -0.8762 -0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9564 -1.8209 -0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9703 -2.7958 0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6548 3.1582 0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5721 3.3526 1.1421 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7744 2.0435 1.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2006 1.8317 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0471 0.0423 -0.2963 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.0394 -1.8314 -0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1175 -2.9926 -0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7923 -4.3048 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0076 -4.4659 0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0704 0.0381 -0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7028 1.3287 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2107 1.1663 -0.3109 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.9169 1.1843 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3255 -0.4325 -1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3888 -1.7625 -0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2558 -1.7638 0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1784 -0.2290 1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0262 -2.1678 -1.6465 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6458 -2.2698 -0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1673 -2.6302 0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7279 0.0829 -1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2569 -0.4055 0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8595 -0.9598 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0103 0.8003 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3331 0.0718 -1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1363 -1.5880 -1.1017 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2161 1.2160 2.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3105 1.6825 1.4144 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1693 3.5686 1.5512 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4756 2.6411 0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2542 4.1864 -0.7764 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0041 2.4764 -1.3113 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0185 3.4611 0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0293 4.3810 -0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2111 2.5710 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3140 -2.2832 0.6224 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2894 -2.1437 -1.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7980 -0.2473 0.7247 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8141 -0.2070 -1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8745 -1.2022 -0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9555 -2.3026 -1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2255 -2.2482 1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0383 -3.3712 0.9838 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7987 -3.5105 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2373 3.4930 -0.8829 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5082 3.8166 0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9256 2.0930 0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0111 3.6040 2.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9204 4.1896 0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9576 2.1322 1.9265 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4697 1.2107 1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0436 1.8379 -0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5479 2.6952 -0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8724 -1.8902 0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4772 -1.9176 -1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7263 -2.9223 -1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3069 -2.9306 0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0705 -5.1072 -0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0015 -4.4519 -1.6134 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7805 -3.7169 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4719 -5.4581 0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6650 -4.5633 1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4836 -0.7773 -0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2993 -0.1079 0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3001 2.1330 0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5382 1.5395 -1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7693 2.0328 -0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5916 0.2681 -0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5561 1.0900 1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8604 1.5850 1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3016 -0.1608 1.3822 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