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
2.5300 -0.7806 1.2199 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8855 -0.2400 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4384 0.7123 -0.4904 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5916 -0.7390 -0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5443 0.1205 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4074 1.2277 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8726 -0.2581 -0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9930 -1.3187 -1.1006 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0168 0.4787 -0.1503 O 0 0 0 0 0 1 0 0 0 0 0 0
0.0647 5.2478 -0.9657 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0907 4.1988 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1108 2.7972 -0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0783 1.8549 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1745 -0.1875 0.1635 Sn 0 0 0 0 0 3 0 0 0 0 0 0
2.1481 -1.0201 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1513 -2.4746 -0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5144 -3.0718 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5191 -2.3830 -0.9536 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5463 -1.3678 -0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6461 -0.5654 -0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8590 -1.4235 -1.1911 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3991 -1.9824 0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4316 -0.1082 -0.5411 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1838 -0.1663 -1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9378 -0.0242 -0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7494 -0.0890 -1.4845 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0965 0.0973 -0.4004 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-0.8717 -1.7075 0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0251 -1.4354 1.3922 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5302 -2.7220 1.9676 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0148 -3.6847 0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3394 1.9173 0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5761 3.0351 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8362 2.7398 -1.0771 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0296 2.6393 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6326 -0.8013 -1.4863 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3909 -1.7959 -0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2135 1.8751 0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5787 1.5193 1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1651 6.2333 -0.4547 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0228 5.0760 -1.4965 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8052 5.3370 -1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6845 4.3629 0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0772 4.2206 0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1159 2.6353 -0.8559 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6602 2.5271 -1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6519 2.1672 1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0888 2.0577 1.1495 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8701 -0.4052 -0.2616 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4314 -1.0167 1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7132 -2.6091 -1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4934 -3.0166 0.5639 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4835 -4.1340 -0.3749 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8431 -3.0563 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5093 -2.8853 -0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2716 -2.5401 -2.0084 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6797 -1.3201 -0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9573 -1.7128 0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3429 -2.2735 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9924 0.2642 -0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2768 -0.0866 -1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5260 -2.2428 -1.8599 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6494 -0.8126 -1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9677 -1.4595 0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4862 -1.8588 0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1683 -3.0740 0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3615 0.8778 -0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3117 -0.0804 -1.2143 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4350 -0.9648 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2072 -1.1718 -1.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2263 0.6049 -2.2007 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9017 -0.8266 0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9826 0.9811 -0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7713 -1.0769 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7577 0.6790 -2.2545 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1771 -2.3593 -0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0432 -2.1440 1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8524 -0.9169 0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7378 -0.7789 2.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3754 -2.5665 2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7126 -3.1742 2.5985 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2959 -4.5436 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0135 -3.2416 -0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0197 -4.0720 1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1727 1.8448 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6194 2.1498 1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7767 4.0047 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2769 3.1308 -0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7544 1.7706 -1.6019 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9955 3.5471 -1.8045 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9293 2.6130 -0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9537 1.6915 0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0246 3.5308 0.5238 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