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
3.1035 -0.0086 0.2733 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8803 0.2721 -0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8209 1.3189 -1.0430 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7436 -0.6183 -0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5501 -0.0022 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7228 1.2785 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6870 -0.8907 0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5784 -2.1041 -0.0046 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9347 -0.3500 0.5649 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.8337 4.6994 0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9734 3.8067 -0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3716 2.6622 0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5325 1.8547 -0.7333 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3968 0.1887 0.2547 Sn 0 0 0 0 0 3 0 0 0 0 0 0
2.1374 0.5409 1.4385 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1751 -0.5191 1.2697 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6547 -0.6334 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6921 -1.6930 -0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4609 -1.7435 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7309 -1.9150 0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2232 -3.3415 0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4864 -3.5450 -0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6710 5.1400 -0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5715 3.8343 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7740 2.8029 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7552 1.5426 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3482 -0.0272 -0.1967 Sn 0 0 0 0 0 3 0 0 0 0 0 0
2.1068 0.5083 -1.3089 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 -0.4982 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4889 -0.4391 0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5617 -1.3986 0.9259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6329 -1.8342 -0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7907 -2.1715 0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3963 -3.4634 -0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5651 -3.9284 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5714 -1.1367 -1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9473 -1.3888 0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6929 1.6764 0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0991 1.9536 0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8323 4.7602 -0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9239 4.3606 1.3237 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4291 5.7424 0.2497 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1055 4.3757 -0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4961 3.3548 -1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7643 3.0823 1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2352 2.0712 0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1858 1.5109 -1.5511 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2569 2.5186 -1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8470 0.5970 2.4968 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5918 1.5116 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8614 -1.5185 1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0612 -0.2204 1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1059 0.3333 -0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7898 -0.8820 -0.8106 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9574 -2.1993 0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6274 -1.3037 -0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3515 -2.5202 -1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2287 -2.5564 0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7233 -1.9559 -1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6317 -1.7318 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5449 -1.2318 0.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5038 -4.0840 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1945 -3.4805 1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5926 -4.0468 -1.3943 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3333 -4.2547 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6261 -2.5949 -1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7122 5.6850 -0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4184 5.7699 0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0323 5.0288 -1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0221 4.0349 1.5888 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5450 3.4029 0.8933 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3080 2.4961 -1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2375 3.1233 -0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3566 1.8186 1.7344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8240 1.2435 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4291 1.5319 -1.1333 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8888 0.3687 -2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8863 -1.5294 -1.2158 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1418 -0.2849 -1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8253 0.5908 0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5561 -0.6716 1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1452 -2.4070 1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1150 -0.9588 1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3002 -1.4889 0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0881 -2.6834 -0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9635 -1.7158 -1.8612 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5189 -1.3668 0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4081 -2.4185 1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6087 -4.2390 -0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7153 -3.2349 -1.4709 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2902 -4.5536 1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2231 -3.0784 0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2269 -4.5310 -0.3075 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