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
-2.4272 1.3730 0.6194 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.5949 0.2756 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3838 -0.2569 1.8382 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9142 -0.3281 -0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5447 -0.1499 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3286 -1.2195 -0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0570 1.2027 -0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2952 1.3609 0.0874 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2005 2.2798 -0.1727 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.1945 -2.2808 0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1022 -0.7668 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7300 -0.3605 -0.4157 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7248 -0.8444 0.6072 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2751 -0.3582 0.0570 Sn 0 0 0 0 0 3 0 0 0 0 0 0
0.8781 1.6987 0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2918 2.6226 -0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2917 4.0426 -0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8439 4.9922 -0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8143 -1.7703 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7781 -1.9539 -0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8158 -2.9646 -0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5136 -2.4160 1.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1669 4.5585 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6526 3.4028 -0.8939 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4694 2.1612 -0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0457 1.0486 -0.9416 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3162 -0.7458 0.2121 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.4673 -1.7234 0.9343 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4865 -1.7187 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7452 -2.4133 0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4538 -3.8265 0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1270 -1.8533 0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2459 -1.0904 -0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4995 0.2200 0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5999 1.0103 -0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1783 -1.4128 -0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2101 0.2139 -1.3532 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3764 -1.1373 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9060 -2.2014 -0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8849 -2.6180 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6515 -2.7955 -0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2639 -2.5887 0.1305 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2030 -0.3499 1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9127 -0.3776 -0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7388 0.7472 -0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5925 -0.8177 -1.4028 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8846 -1.9267 0.7426 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9814 -0.3086 1.5638 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3875 1.9365 0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6032 1.8636 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0774 2.5084 0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7015 2.4805 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1243 4.1324 -0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6992 4.2781 0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6339 5.9861 -0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0283 5.0463 -1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7581 4.5537 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4106 -2.7481 0.8553 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3615 -1.3602 1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1938 -2.3327 -1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2530 -1.0032 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4867 -3.1970 -0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2767 -3.9126 0.1098 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8927 -2.5954 1.9671 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6351 -1.3205 0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5086 -2.9212 1.1607 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1355 4.3314 0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4462 4.9781 0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4035 5.3788 -0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3231 3.7167 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3905 3.2036 -1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2423 2.3193 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4791 1.8489 0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7688 0.8187 -1.6842 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9388 1.2880 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2822 -2.7528 1.2385 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8522 -1.0931 1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1261 -2.3297 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7184 -0.7246 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5067 -2.4548 -0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1974 -1.8730 1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4206 -3.9339 1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1946 -4.5530 0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4655 -4.1604 0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4467 -2.1312 1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9788 -2.8051 -0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1967 -1.6576 -0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9022 -0.9163 -1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7392 0.0545 1.2887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5660 0.7999 0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7732 1.9107 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5256 0.3898 -0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3624 1.3169 -1.4456 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