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
2.2701 0.2309 -1.3390 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8260 0.4291 -0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2755 1.3467 0.6435 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7972 -0.4604 0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5571 -0.1451 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2273 -1.1071 -0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1775 1.1660 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5544 2.1236 0.7189 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4688 1.4151 -0.3243 O 0 0 0 0 0 1 0 0 0 0 0 0
4.5595 -0.5497 0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1381 -0.5007 0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4552 -1.7780 0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0161 -1.8260 0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1300 -0.2323 -0.1789 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.0572 1.7143 0.7137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6047 2.7738 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5576 4.1452 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1174 5.1492 -0.5868 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7863 -0.6773 -1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0662 -2.1657 -1.4193 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3935 -2.5050 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6962 -3.9541 0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1694 5.4065 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5941 4.2346 0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0789 2.9064 -0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7776 1.8192 0.5033 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0166 -0.1273 0.1416 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.3869 -1.7145 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7112 -1.3826 0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7619 -2.4365 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9668 -2.5880 -1.4613 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0814 -0.5601 0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4444 -1.6262 1.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9320 -1.8925 0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3198 -2.3834 -0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7964 -0.4693 1.6294 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0788 -1.5046 0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2197 -0.9152 -0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8391 -2.1097 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6332 -0.2603 -0.9814 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2327 0.1272 0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9703 -1.5953 0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0870 -0.3068 1.6753 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6497 0.3583 0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5450 -1.9583 -0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9897 -2.6053 0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9409 -1.8448 1.7791 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6238 -2.8276 0.3393 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5062 1.7548 1.7058 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0340 1.9589 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6656 2.5269 -0.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0715 2.7715 -1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4745 4.4365 0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1958 4.2086 1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8744 4.6653 -1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3210 5.5901 -1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6996 5.9483 -0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6652 -0.1596 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6174 -0.3120 -2.4979 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1100 -2.6761 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8597 -2.4568 -2.1012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3394 -1.9396 0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6321 -2.1015 0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7597 -4.1478 -0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9945 -4.5876 -0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6281 -4.1607 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7837 5.1143 -1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4957 6.2394 -0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7737 5.8447 0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6138 4.2643 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6624 4.2623 1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0933 2.7513 -1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1018 2.8919 0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8290 1.9634 1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8102 1.9158 0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9664 -2.6370 0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4300 -1.9335 -1.3937 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5626 -1.2034 1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0934 -0.4370 -0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5392 -3.3987 0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7274 -2.0140 0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1869 -3.2567 -1.9008 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9869 -2.9214 -1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7677 -1.5826 -1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3024 -0.9950 -0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6513 0.3525 0.2182 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2305 -1.2604 2.1141 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9131 -2.5617 0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2520 -2.6478 1.7268 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4576 -0.9274 1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6531 -1.5198 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4778 -2.8464 -0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1706 -3.1124 -0.2992 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