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
1.5670 0.6347 1.5888 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8323 0.2675 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0230 0.2898 -0.1350 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7958 -0.1491 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5646 -0.1335 -0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2649 -1.2487 -0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1301 1.0936 0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5022 2.1895 0.4140 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3925 1.0582 0.9790 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.2451 4.4106 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4464 3.4171 -1.0793 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4071 2.3436 -0.9853 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5294 1.6286 0.3566 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0013 0.1182 0.3854 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.6380 -1.9363 0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5497 -2.1991 -0.6389 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0716 -3.6115 -0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8521 -3.9002 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9755 0.6659 -0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0003 -0.2344 0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4001 0.1573 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3627 -0.7871 0.7988 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4090 5.0311 -0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5413 3.6563 -1.1907 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9735 2.5746 -0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1764 1.2541 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4103 -0.3836 0.1195 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.6213 -1.2616 1.6387 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3037 -2.7026 1.8705 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4909 -3.5743 0.6688 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8726 -3.5927 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6151 -0.9908 -0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4291 0.2628 -0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8808 -0.0493 -0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5218 -0.7858 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9775 -1.1328 -1.1536 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7782 0.5930 -1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8622 -2.1656 -0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2572 -1.2965 0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1718 4.6817 0.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8918 5.3054 -0.0903 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5449 3.9442 0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2724 3.9669 -2.0291 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4468 2.9604 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3986 2.8260 -0.9723 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5026 1.5758 -1.7605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3324 2.3167 1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5461 1.2014 0.3851 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2724 -1.9938 1.4507 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2173 -2.6298 0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0187 -1.9728 -1.5865 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4276 -1.5261 -0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2916 -4.3482 -0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8020 -3.6625 -1.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4040 -4.8533 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5856 -3.0889 0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1619 -3.9048 1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1639 1.6997 0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1458 0.6595 -1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7735 -1.2804 0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9454 -0.1659 1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5811 1.1786 0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5392 0.1430 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9140 -1.1734 1.7556 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2880 -0.2680 1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5049 -1.6642 0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8268 5.7221 -1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9603 5.0276 0.4058 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4384 5.4727 -0.5165 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6093 3.3978 -1.3886 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0182 3.5998 -2.1627 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1284 2.7526 -0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3895 2.5729 0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2536 1.1376 -1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6649 1.3460 -2.0117 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4175 -0.7164 2.5838 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6827 -1.0702 1.3944 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9273 -3.0946 2.6959 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2517 -2.7684 2.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8057 -3.1872 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1736 -4.6103 0.9026 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9585 -2.8684 -0.7212 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0686 -4.5915 -0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6668 -3.4248 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6129 -1.5399 -1.2229 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0177 -1.6034 0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3021 0.9924 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0187 0.7539 -1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4057 0.9039 -0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9421 -0.6099 -1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5820 -0.5126 0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4780 -1.8712 0.1697 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9779 -0.6485 1.3731 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