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
1.8776 -0.0928 -1.2629 O 0 0 0 0 0 1 0 0 0 0 0 0
1.8072 0.3967 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8403 0.8572 0.5550 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5535 0.3840 0.7702 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5815 -0.1817 0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2057 -1.2342 0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0315 0.4011 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9958 -0.0378 -1.8830 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3876 1.5310 -1.7510 O 0 0 0 0 0 1 0 0 0 0 0 0
4.7123 -0.0584 -0.9217 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4051 -0.7949 -0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1036 -0.9453 0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7885 -1.6866 0.8217 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1891 -0.6193 -0.1296 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.5721 -1.7303 -0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3771 -1.9510 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6457 -2.7276 0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5685 -2.0582 -0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3302 1.4964 -0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0091 2.1955 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0640 3.6990 0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9050 4.1859 -0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9397 4.3341 -1.1393 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2828 3.0710 -0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5087 2.9868 0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8409 1.7449 1.6801 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3824 -0.0314 0.5657 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.2143 -1.8601 1.3303 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3451 -2.8990 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2468 -2.4294 -0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6311 -2.1397 -0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5725 -0.1820 -0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5595 -0.4362 0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9778 -0.5554 0.2628 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0848 -1.6921 -0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7385 -0.1188 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3138 1.4534 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8725 -1.6620 1.4279 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0561 -1.6959 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8827 0.2561 -1.9672 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6546 0.8415 -0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5061 -0.7046 -0.5402 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5369 -1.8289 -1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5618 -0.2987 -1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0007 0.0316 1.1964 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8777 -1.5791 1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5110 -1.8668 1.8953 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8353 -2.6862 0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2312 -2.6699 -1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1883 -1.0983 -1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6012 -0.9809 1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7636 -2.5430 1.3088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4288 -3.7562 0.0185 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1592 -2.8194 1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5757 -2.6251 -1.5913 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6236 -2.1271 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3591 -1.0092 -0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3582 1.8299 -1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3616 1.7181 -0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0404 1.9236 1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7439 1.8719 1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2072 4.1466 1.6854 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0663 4.0580 0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5784 3.3444 -0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5556 5.0142 0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3836 4.5521 -1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1561 4.4009 -1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2900 5.2233 -0.5728 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4911 4.2694 -2.1101 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3718 3.1059 -0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0492 2.2060 -1.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5647 3.0943 0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 3.8503 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9021 1.7511 2.0195 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2133 1.7136 2.5965 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2165 -1.7028 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4833 -2.2593 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8388 -3.7792 0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3770 -3.2354 -0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8481 -1.5237 -1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3430 -3.2828 -1.5864 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0702 -3.0184 0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2576 -1.8588 -1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6175 -1.2419 0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8340 0.6714 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5602 -1.0982 -0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5434 0.3928 1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3183 -1.3699 1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2790 0.3806 -0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7018 -0.6926 1.0904 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7999 -2.6464 -0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1742 -1.7983 -0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4804 -1.4633 -1.6019 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