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
3.1336 -0.0269 -0.2536 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8302 0.3297 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6420 1.3758 0.6993 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7524 -0.5760 -0.3798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5943 -0.1079 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3254 -0.8839 0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1493 1.1568 -0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2922 1.4891 -0.0492 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3846 1.9708 -1.2231 O 0 0 0 0 0 1 0 0 0 0 0 0
0.0454 5.1332 0.5923 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3955 4.1225 -0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0817 2.7197 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5475 1.7580 -1.0396 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0986 -0.2242 -0.3484 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.7036 -1.2932 0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9313 -1.0589 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1560 -1.7400 0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9277 -3.2409 0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6703 -1.2182 -1.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7392 -1.2086 0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9492 -1.9402 -0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0294 -1.9441 0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8863 4.5053 -0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3915 4.3242 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0201 2.8935 -0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5017 1.9345 0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0856 -0.0485 0.0103 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.5042 -1.4441 -0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1337 -1.8105 0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -2.7855 0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3652 -2.2453 -0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9417 -0.8927 0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9327 -1.0294 -0.4625 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1899 -1.6230 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2679 -1.8170 -0.9314 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7713 -0.6919 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9330 -1.5854 0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9837 -1.8454 1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3331 -0.6049 1.1105 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5573 6.0072 0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8545 4.6281 1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8173 5.4108 1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0400 4.3232 -1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5010 4.1713 -0.5554 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6665 2.4850 0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9857 2.6251 0.2645 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6409 1.9142 -1.1689 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0413 1.9453 -1.9997 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4412 -2.3558 0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8305 -0.8586 1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7317 -1.4928 -1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1062 0.0369 -0.2243 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5065 -1.3332 1.3006 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9705 -1.5872 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1110 -3.4759 1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7161 -3.6001 -0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8988 -3.6929 0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5045 -2.2301 -1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1143 -0.6426 -1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0486 -0.1812 0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4265 -1.7233 0.9865 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2947 -1.4045 -1.4059 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6539 -2.9705 -0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8596 -2.8398 1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0171 -1.0192 1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0314 -2.0044 0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0925 5.5887 -0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2887 3.9594 0.8207 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3430 4.0911 -0.9462 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1435 4.5998 0.7665 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0419 4.9489 -0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0936 2.8509 -0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4049 2.5618 -1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0200 2.1850 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5857 2.0264 0.7533 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0421 -2.3159 -0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2845 -0.9482 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3783 -2.3207 1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 -0.8942 1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8156 -3.7171 0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6946 -2.9818 1.7089 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2207 -1.1917 -0.4588 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4657 -2.9294 -1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3588 -2.2865 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3407 -0.2278 1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7931 -1.8920 1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4855 -1.7669 -1.1758 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0712 -0.0979 -1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5272 -1.0266 0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9208 -2.6434 0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6530 -2.8539 -0.9721 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1217 -1.1662 -0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9609 -1.5133 -1.9532 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