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
2.3902 0.2724 0.8207 O 0 0 0 0 0 1 0 0 0 0 0 0
1.7898 -0.5092 -0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2458 -1.6519 -0.3721 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5900 0.0021 -0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6067 0.0862 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6589 -0.6841 -0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6321 1.0717 1.0599 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6146 1.2199 1.8573 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4553 1.9175 1.2454 O 0 0 0 0 0 1 0 0 0 0 0 0
-1.5556 4.7390 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3106 4.1836 -1.3723 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3363 2.6816 -1.2725 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2860 2.1397 -0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5110 0.0023 -0.3583 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-2.3026 -0.8030 0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1655 -2.2816 0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8829 -2.9636 -0.5448 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7327 -4.4488 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2660 -1.1961 -0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4351 -0.4001 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7165 -1.2071 0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8787 -0.4032 0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6737 -0.3698 -0.8281 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5197 -0.3070 -1.7637 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2480 0.1883 -1.1455 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7485 -0.6351 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0767 0.2882 0.6886 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-1.5242 -0.8517 1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4247 -2.3263 1.4543 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6633 -2.5736 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5623 -4.0395 -0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0913 2.4189 0.8646 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4421 2.9409 1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5307 2.5850 0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2159 3.1696 -1.0623 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3596 -0.6800 -1.7373 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8371 1.0042 -1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6346 -1.4270 -0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5208 -0.6218 0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2268 5.6254 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0826 3.9888 0.6442 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5814 5.0313 0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1483 4.4787 -2.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3854 4.5740 -1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2279 2.1766 -2.2345 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3255 2.4058 -0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3978 2.5504 0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7385 2.4400 -0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1515 -0.6200 -0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5609 -0.3073 1.4561 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1550 -2.6505 1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4383 -2.5066 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9854 -2.5185 -1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7619 -2.8133 -1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1002 -5.0243 -1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2702 -4.8127 0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6486 -4.6844 -0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -1.3927 -1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1559 -2.1414 0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2227 -0.1753 1.1733 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5315 0.5691 -0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8713 -1.5112 -0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6170 -2.0953 0.7115 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7821 -0.7477 0.0519 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7725 0.6880 0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0430 -0.5694 1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6902 0.4371 -0.0742 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6100 -0.2568 -1.4243 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7758 -1.3700 -0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3803 -1.2967 -2.2395 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7796 0.3992 -2.5884 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4660 0.1837 -1.9421 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3506 1.2415 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4790 -1.6463 -0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4501 -0.7812 0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5475 -0.5091 1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3145 -0.7314 2.8528 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4460 -2.7053 1.7817 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2152 -2.8927 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9590 -1.9641 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7020 -2.2553 -0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5566 -4.4929 -0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9045 -4.1348 -1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1271 -4.5963 0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2735 2.9301 -0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6182 2.6832 1.6785 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3680 4.0503 1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6922 2.6382 2.3056 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7133 1.4972 0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4662 3.0509 0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2797 3.7632 -1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0204 3.9003 -1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2200 2.3701 -1.8347 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