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
2.0994 0.9628 -0.3373 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8644 -0.2616 0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8551 -0.9544 0.5740 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5200 -0.8352 0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5679 0.0391 0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4124 -0.3912 -0.8617 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7843 1.3769 0.5777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0055 1.8514 1.4612 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8410 2.1535 0.1242 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.3259 -2.8553 -0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8484 -2.9863 0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1417 -1.6417 0.0576 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6817 -1.9413 0.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5452 -0.2137 0.3284 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.0430 1.6419 -0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3022 2.6199 0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7230 3.9536 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9902 3.7008 -0.7932 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2689 -0.1759 1.6204 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4537 0.4291 0.9292 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7717 -0.4031 -0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0890 -1.8133 0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3504 -0.4558 -0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9482 -0.5315 0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4984 0.8177 0.7125 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0712 0.7308 1.2536 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2906 0.1268 -0.2573 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.4430 -1.9884 -0.6949 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5928 -2.4954 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8188 -3.9805 -0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9943 -4.3540 0.8618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8062 1.4123 -1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7291 2.7981 -0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3577 3.3600 -0.7381 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2727 4.7297 -0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4379 -0.9343 1.6013 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4179 -1.8265 0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2528 0.2009 -1.2358 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3308 -1.3814 -1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6482 -1.7969 -0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5602 -3.4333 -1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8611 -3.3703 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6338 -3.4310 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3368 -3.6297 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5312 -1.0123 0.9075 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2725 -1.1324 -0.9116 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3642 -2.6921 -0.4013 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6428 -2.4048 1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7834 2.0813 -1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9665 1.5542 -1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6244 2.6729 1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0923 2.2067 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9316 4.6213 0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0817 4.3344 -0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5229 2.8230 -0.3683 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5969 4.6112 -0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6853 3.4558 -1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4999 -1.1623 2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0036 0.4708 2.5053 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3159 0.3541 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2391 1.4609 0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5754 0.0523 -0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8292 -0.4245 -0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0925 -2.0666 -0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3221 -2.5423 -0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2064 -1.9149 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5367 0.5579 -0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5471 -1.2275 -1.1383 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0388 -0.6953 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2881 -0.8758 -0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9235 -1.3144 0.9733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4875 1.5089 -0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1654 1.1198 1.5173 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7862 1.6695 1.7698 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1307 -0.0404 2.0773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4698 -2.5039 -0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6466 -2.1234 -1.7751 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5289 -1.9312 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3048 -2.2816 1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1169 -4.1594 -1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9358 -4.5679 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7301 -3.5387 0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6650 -4.4679 1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4015 -5.3013 0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7655 1.5245 -2.1105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8180 1.0145 -0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5350 3.4511 -0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7832 2.7654 0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3976 2.6654 -0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3473 3.4322 -1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7654 4.8767 0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5909 5.4712 -0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9299 4.8018 0.7614 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