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
3.0571 0.5996 0.3687 O 0 0 0 0 0 1 0 0 0 0 0 0
1.7384 0.5384 -0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4097 1.2501 -1.0261 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7393 -0.3576 0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5819 -0.2404 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1543 -1.2768 -0.5415 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2484 1.0464 -0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3679 1.1564 -0.5855 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6838 2.1964 0.5060 O 0 0 0 0 0 1 0 0 0 0 0 0
-2.4456 3.2790 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7158 2.1892 -0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2739 2.6429 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5552 1.6248 -1.4984 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5343 -0.2807 -0.5127 Sn 0 0 0 0 0 3 0 0 0 0 0 0
2.3744 -1.1372 0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8733 -0.4397 1.4185 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0815 1.0316 1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1056 1.0539 -0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1392 -1.6296 -0.7679 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1479 -2.5355 0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2968 -3.5434 0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6366 -2.8394 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0889 4.1358 1.0299 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1417 3.2712 0.8834 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5239 3.0987 -0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3637 2.4376 -1.2974 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0403 0.5219 -0.4131 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.4684 -0.9900 -0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3398 -1.0656 0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3650 -2.1530 0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7229 -3.4919 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0952 -0.0834 -0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3087 -1.2656 0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7869 -1.5924 0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1046 -1.9284 -0.9474 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1688 -1.3765 0.5682 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6926 -0.1137 1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6541 -2.2225 -0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1153 -1.2001 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0598 3.2235 1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0721 4.2479 -0.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5324 3.1765 0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2018 2.1276 -1.6041 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7672 1.2385 -0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1417 2.7183 0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2860 3.6039 -1.2706 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2152 1.5476 -2.5552 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5901 2.0217 -1.5377 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2958 -2.2030 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1014 -1.0449 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1787 -0.5601 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8711 -0.8077 1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4972 1.5920 1.9068 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0987 1.4065 0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8238 0.2259 0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5996 2.0442 -0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6510 0.8806 -1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0679 -1.0697 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9775 -2.2623 -1.6802 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2493 -1.9227 1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2212 -3.1458 0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1714 -4.2217 -0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2988 -4.1563 1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4082 -3.4023 0.9081 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5890 -1.8301 0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0305 -2.8441 -0.7363 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0935 5.0063 0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1174 4.4850 2.0782 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0232 3.5591 0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9837 3.6169 1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8632 2.2629 1.2721 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7707 4.0543 -1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3936 2.4113 -0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5807 2.3283 -2.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5099 3.1207 -1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1414 -0.7763 -1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0420 -1.9824 -0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8600 -0.1109 0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7072 -1.3390 1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9231 -1.8756 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0787 -2.2437 1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7891 -3.7856 -0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2835 -4.2915 0.7051 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6449 -3.5156 0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7542 0.7344 0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3802 -0.3394 -1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6869 -2.1258 0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9591 -0.9905 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3216 -0.6289 0.7391 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0715 -2.3974 1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9329 -2.6664 -0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2364 -2.3750 -1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4757 -1.0300 -1.5062 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