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
2.3465 0.6110 1.5664 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8631 0.1871 0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4514 0.5611 -0.6996 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6958 -0.6758 0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5514 0.0313 -0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5774 1.3400 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7736 -0.7510 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8806 -0.2257 -0.5579 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7199 -2.1159 -0.0100 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.9605 -3.7756 -0.7336 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8086 -2.8216 -0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4741 -2.5978 0.8878 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6883 -1.6318 0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2450 0.2484 0.0931 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.5178 1.3234 0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7789 2.4119 -0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0124 3.2108 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2383 2.3193 0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7821 1.3509 -0.9181 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0908 0.6093 -0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5654 0.3552 0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8698 -0.3840 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0405 -3.9331 0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9359 -3.7240 1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3492 -2.3451 0.9315 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7682 -2.0817 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0030 -0.0700 -0.3899 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.2999 1.4200 0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1689 2.7461 -0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1410 3.6882 0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1137 5.0652 -0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1082 0.1166 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9080 -0.0159 -1.2836 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3692 0.1275 -0.9154 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7094 -0.9716 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8147 -1.5016 -0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5619 -1.2256 1.2233 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5195 1.7968 -0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2888 1.9685 -0.2715 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8189 -4.3058 -1.6948 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9766 -4.5035 0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9339 -3.2091 -0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0597 -1.8688 -1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0743 -3.2416 -1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3694 -2.2347 1.4122 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1687 -3.5613 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9956 -1.4571 2.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5380 -2.1242 0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2952 1.8003 1.6483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3902 0.6688 0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8560 2.0022 -1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9250 3.1375 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8733 3.7944 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1874 3.9262 -0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2901 1.8042 -0.9457 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1958 1.6109 0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1295 2.9653 0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8701 2.3282 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4819 1.4495 -2.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0420 -0.3207 -1.4938 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8523 1.2703 -1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8173 -0.2035 1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6766 1.3622 0.9853 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4182 -0.0993 -0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7265 -1.4823 0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5262 -0.1261 1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2526 -3.0550 -0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0106 -4.2186 0.5773 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7924 -4.7777 -0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3898 -3.7798 2.0854 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1675 -4.5203 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2136 -1.6279 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6401 -2.0868 1.7208 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0064 -2.8138 -0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5683 -2.1080 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0111 1.5498 1.4987 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3550 1.1285 0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4554 2.5975 -1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1635 3.1777 -0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9037 3.6836 1.4801 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1534 3.2217 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4148 4.9735 -1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8471 5.6870 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0998 5.4780 -0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4484 -0.6894 0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3601 1.0726 0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7098 -0.9894 -1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5893 0.8194 -1.9349 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5755 1.1211 -0.4746 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0232 -0.0338 -1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4497 -0.7228 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1906 -1.8979 -0.2952 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8052 -1.2114 0.0211 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