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
2.6581 0.9020 1.3902 O 0 0 0 0 0 1 0 0 0 0 0 0
1.4661 0.3001 1.0538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0254 -0.6014 1.7949 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7402 0.7186 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5197 -0.0570 -0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6696 0.5800 -0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4832 -1.5036 -0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5589 -2.1365 -0.6251 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6842 -2.2408 -0.4611 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.2229 -1.8209 -0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2610 -2.1637 0.6148 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0883 -1.2248 0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2912 -1.2333 -0.6136 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3273 0.1755 -0.2798 Sn 0 0 0 0 0 3 0 0 0 0 0 0
2.0554 -0.6295 0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7342 -1.6635 -0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9409 -2.2158 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6094 -3.2487 -0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3184 2.1422 0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8625 2.8733 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3113 4.2584 -0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0579 4.9343 0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4957 -4.2985 0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4191 -3.7612 -0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8842 -2.4354 -1.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8090 -1.4929 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0799 0.4323 -0.4095 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.9160 1.0216 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8357 -0.1643 0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2101 0.4006 0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6442 1.2651 -0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3733 1.8123 -1.3738 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1159 2.6957 -0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9939 1.9307 0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7077 2.8975 1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4040 0.5316 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5270 1.7882 -0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6801 1.6482 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5936 0.0707 -0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2931 -1.8545 -0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1538 -2.6271 -1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0865 -0.8195 -0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8019 -2.0814 1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8976 -3.2209 0.5372 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4533 -1.5380 1.5401 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4648 -0.2005 0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9005 -2.2216 -0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9005 -0.7958 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7533 0.1815 0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7077 -1.0897 1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0638 -1.1750 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 -2.5021 -0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6246 -2.6753 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6198 -1.3821 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0943 -4.0317 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8311 -3.7799 -0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2911 -2.7495 -1.0295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1062 2.0329 1.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5385 2.7386 0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0091 2.9473 -1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6735 2.3132 -1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0284 4.1882 0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6787 4.8315 -1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0194 4.6737 1.2124 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2033 6.0337 0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8116 4.6203 -0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6582 -3.8178 1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5700 -4.2134 0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7641 -5.3783 0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4382 -4.5143 -1.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4182 -3.5864 -0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5512 -2.0349 -1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1072 -2.6358 -1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1857 -1.9243 0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8547 -1.3596 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2986 1.6302 -0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8905 1.6336 0.9802 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9473 -0.7094 -0.7098 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4692 -0.7936 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1982 0.9767 1.5029 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9090 -0.4490 0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2755 0.8381 -1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7519 1.2338 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3046 2.3175 -0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0778 1.2920 -2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7532 2.4667 -2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7566 3.3807 -1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4101 3.3125 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6997 1.2617 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3558 1.2882 1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9973 2.3998 2.4036 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9598 3.6937 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5685 3.3879 0.9583 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