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
1.8152 1.2524 -0.8450 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8718 -0.0193 -0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9801 -0.5860 -0.0927 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6569 -0.7759 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5808 -0.0101 -0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4608 -0.5400 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8516 1.2722 0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0257 1.7658 1.2039 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 1.9501 0.1449 O 0 0 0 0 0 1 0 0 0 0 0 0
4.6499 0.4847 0.6867 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1978 -0.6569 -0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8133 -0.3313 -0.7688 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8204 -0.1798 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1344 0.2783 -0.3544 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.5828 -1.2824 -0.6034 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0160 -2.5840 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9899 -3.7112 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2736 -3.5037 0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5698 2.2160 -1.1403 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4351 3.2962 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3749 3.0804 1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8142 3.0686 0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2077 5.2206 -0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6696 3.8550 -0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7564 2.7924 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2291 1.4347 -0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0535 -0.0683 0.3698 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.8422 -1.7881 1.3183 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9513 -2.2639 0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6097 -3.4724 1.0171 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7199 -3.9862 0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0096 -0.3064 -0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9534 -0.9704 0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3046 -1.1053 -0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7868 0.2819 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6092 -1.7247 -0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6941 -1.0527 1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3129 -1.4992 -1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3897 -0.0326 -1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1651 0.3227 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4006 1.4605 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7531 0.3684 0.8541 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9424 -0.6864 -1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2130 -1.5704 0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4961 -1.1397 -1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8509 0.6298 -1.3203 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8002 -1.1804 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1695 0.5402 1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5225 -1.0197 -0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7554 -1.4018 -1.6998 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1105 -2.8104 -0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6976 -2.4224 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1708 -3.8734 -1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5049 -4.6251 0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8631 -2.6673 0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8696 -4.4391 0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0297 -3.3334 1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1563 2.4443 -1.9403 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5774 2.2700 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5894 3.4420 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7448 4.2471 -0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2419 3.9828 1.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1368 2.1531 1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0258 2.2422 -0.0606 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1551 4.0314 0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4216 2.8600 1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1160 5.3080 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5077 5.3726 0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6993 6.0217 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6993 3.6487 -0.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6871 3.8062 -1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2962 2.9520 -0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8861 2.8639 1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2630 1.3934 -1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2898 1.2954 -0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2376 -1.5240 2.3241 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1250 -2.6011 1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6308 -1.4323 0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4710 -2.5856 -0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8326 -4.2790 1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9274 -3.2460 2.0423 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9151 -5.0444 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3507 -4.0547 -0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6440 -3.4196 0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8988 -1.0301 -1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4177 0.6623 -0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5671 -1.9663 0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0110 -0.3721 1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0341 -1.6385 0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1794 -1.6547 -1.1045 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8411 0.3692 -0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6961 0.4875 -1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2189 1.0441 0.0769 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