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
-2.1077 -0.7506 1.3729 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.7428 -0.4386 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5299 0.2268 -0.6117 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4550 -0.8706 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5830 0.1047 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6118 -0.3097 0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4489 1.5078 -0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5363 1.8571 -1.0331 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4021 2.3872 0.1283 O 0 0 0 0 0 1 0 0 0 0 0 0
0.0967 4.4991 -0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2186 3.8460 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8312 2.4270 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5394 1.6634 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0199 -0.3506 -0.1493 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-2.0915 -0.7286 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3341 -2.1924 0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8145 -2.3447 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6060 -1.9048 -0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1887 -2.0114 -0.7701 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4894 -1.4936 -1.3383 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2477 -0.6984 -0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5895 -1.5168 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0189 -2.1959 -0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0559 -2.8059 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7843 -2.0100 0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0450 -0.6076 0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2303 0.5171 1.0644 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.6787 -0.3115 0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6626 -1.8204 0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0559 -2.2764 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1671 -3.7797 0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3758 2.6598 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5270 3.1850 -0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4433 4.6896 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8783 5.2724 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1652 -1.9017 -0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5286 -0.8476 -1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3353 0.4142 1.0388 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6844 -1.3789 0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0784 5.6028 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2613 4.3726 -1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8895 4.0333 -0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1384 3.8546 -0.3383 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3981 4.4474 1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0621 2.5035 1.3181 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6650 1.9905 1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3745 1.7423 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3221 2.2014 -1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4250 -0.0694 1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6630 -0.4802 -0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7560 -2.5374 1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0353 -2.7824 -0.2954 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0460 -3.3840 1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1020 -1.6991 1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9460 -1.9444 -1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4769 -2.6041 -0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9582 -0.8820 -0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4273 -2.6729 0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6595 -2.5953 -1.5491 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2415 -0.7951 -2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1328 -2.2777 -1.7378 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1766 -0.3381 -0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6191 0.1447 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2768 -2.3587 0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7062 -1.8232 1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1914 -0.8432 1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7691 -2.9963 -1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6220 -1.3749 -0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5654 -1.8385 -1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8592 -3.8595 -0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5769 -2.8383 1.2266 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0699 -2.5571 0.9896 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3639 -1.9100 -0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4972 -0.6943 1.8742 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7079 -0.0763 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4327 0.0496 1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9961 0.0997 -0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9967 -2.1352 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2825 -2.2565 1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2975 -1.8353 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7465 -1.8120 0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7493 -4.0498 -0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7194 -4.1968 0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1542 -4.2202 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0392 3.1300 1.8978 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3849 3.0075 0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1673 2.7407 -1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5517 2.8284 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0654 5.0572 -1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6136 4.9659 -0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4437 4.5219 1.6479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5769 6.1326 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0133 5.6009 1.6389 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