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
1.8000 0.1019 1.9145 O 0 0 0 0 0 1 0 0 0 0 0 0
1.6158 0.5419 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0898 1.6815 0.3524 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9225 -0.2950 -0.3804 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5442 -0.2359 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2427 -1.3539 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1795 1.0585 -0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4282 1.1345 -0.0909 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3902 2.1979 -0.5216 O 0 0 0 0 0 1 0 0 0 0 0 0
-0.1313 5.2066 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2080 3.8683 -0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0656 2.7137 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0424 1.4420 -0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3144 -0.3048 0.5652 Sn 0 0 0 0 0 3 0 0 0 0 0 0
2.2131 -0.6177 1.4915 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3559 -0.3226 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3233 -1.1975 -0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4146 -2.6638 -0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0584 -1.9639 0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4690 -1.4506 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3568 -2.6602 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7864 -2.3171 -0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5288 -1.1341 0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2449 -1.9303 0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0567 -0.9919 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8246 -1.8674 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0466 -0.6984 -0.2831 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.1376 1.3334 -0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3920 2.2842 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2631 3.6858 -0.4181 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7487 4.7440 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8101 -1.6413 0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9456 -0.6476 0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1985 -1.4133 0.6338 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4891 -2.4705 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2760 -1.3275 -0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0661 0.1647 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6812 -2.2945 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3043 -1.3742 0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6039 5.8749 -0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1348 5.7081 -0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2325 5.1226 1.0185 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5036 3.7883 -1.5718 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2366 3.7305 -1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6627 2.6688 1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1045 2.7613 0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0758 1.4230 -1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6536 1.4916 -1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2974 0.1076 2.3298 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2838 -1.6211 1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2986 -0.4605 1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2634 0.7196 0.2118 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2322 -0.9505 -1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4200 -0.9798 -1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2717 -3.2431 -1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4224 -2.8725 0.0575 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6636 -2.9864 0.3987 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0575 -2.4842 1.3958 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6867 -2.6096 -0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4820 -0.8841 -0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7855 -0.7658 0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9715 -3.3168 -0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3035 -3.1998 0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8594 -1.4278 -0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4027 -2.1496 0.6262 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2266 -3.1768 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3457 -0.2643 0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3204 -1.8095 0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7864 -0.7887 -0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2439 -2.6788 -0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1587 -2.4805 1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9694 -0.2486 0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1324 -0.4649 -0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8797 -2.6183 -0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7060 -2.4428 0.9375 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1980 1.5998 -1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4591 1.5377 -1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1558 2.1764 1.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4851 2.1132 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7979 3.8753 -0.6855 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8944 3.7049 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2345 5.6996 0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4496 4.5636 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8373 4.9302 0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6631 -2.1786 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0741 -2.4050 -0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0659 -0.1882 -0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7299 0.0567 1.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0599 -0.7270 0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9754 -1.9292 1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2252 -3.5001 -0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9507 -2.3296 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5820 -2.4559 -0.6236 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