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
3.2493 -0.0689 0.1498 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8859 -0.4513 0.2433 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7273 -1.5974 0.6844 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8339 0.4681 -0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5606 0.0282 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9569 -1.1323 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5719 0.9906 -0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2617 2.1125 -0.8871 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8976 0.6463 -0.3815 O 0 0 0 0 0 1 0 0 0 0 0 0
-4.1905 -2.6558 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -3.3731 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8009 -2.3423 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7359 -1.2606 0.9528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1555 0.0671 0.2777 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.6567 1.3233 -1.3913 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0881 2.6268 -1.3379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2878 3.3331 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7503 3.6158 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8427 -0.7036 0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8551 0.4124 0.5261 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2626 -0.1127 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6575 -0.8896 -0.6402 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1467 3.1502 -0.7883 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9330 2.8813 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0677 1.7796 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8784 1.6249 0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4378 0.0782 -0.2619 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.1454 -1.9562 0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2035 -2.3270 -0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7098 -3.7340 -0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3230 -3.9896 0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5076 0.4843 -0.6466 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3456 -0.0778 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8255 0.2143 0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0523 1.7035 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9843 1.3888 0.5008 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0298 0.8961 -1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4027 -1.9684 0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0591 -1.3124 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0295 -3.3592 0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2811 -2.0648 1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2283 -1.9225 -0.5773 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6426 -3.9818 1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9105 -4.0351 -0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9751 -1.8377 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7825 -2.7922 -0.1646 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6836 -0.7164 0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4940 -1.6712 1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4477 0.7494 -2.3168 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7441 1.5669 -1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3035 3.2585 -2.1653 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1681 2.4817 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0525 2.7746 0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2564 4.3062 -0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9356 4.4706 0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3461 2.7322 0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1359 3.9450 -0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0544 -1.2840 -0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9845 -1.3918 1.2305 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6698 1.0453 1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8060 1.0633 -0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4385 -0.7557 1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9328 0.7714 0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7718 -1.9889 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8857 -0.8341 -1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6488 -0.5706 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0577 2.6314 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9011 2.8924 -1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3388 4.2428 -0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1736 2.5860 1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2957 3.7999 0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7216 1.9752 -1.5407 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6637 0.8443 -0.4754 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3461 2.5858 0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2822 1.3721 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6039 -1.9706 1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7092 -2.6322 0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7356 -2.2709 -1.8579 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0170 -1.6022 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 -4.4548 -0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4691 -3.9097 -1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8925 -3.1268 1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6027 -4.4103 1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0908 -4.8073 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7019 1.5534 -0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 -0.0334 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1840 -1.1703 0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0580 0.3788 1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1225 -0.2907 -0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3885 -0.1837 1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6831 2.0479 -0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5051 2.1971 0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1295 1.9244 0.2470 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