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
2.4562 0.7890 0.2086 O 0 0 0 0 0 1 0 0 0 0 0 0
1.9054 -0.3752 -0.3039 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7513 -1.1674 -0.9153 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4993 -0.7790 -0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4943 0.2308 0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3488 1.5326 0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8791 -0.2810 0.3094 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8188 0.4971 0.5995 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1674 -1.6256 0.2022 O 0 0 0 0 0 1 0 0 0 0 0 0
1.0227 5.3228 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1050 4.1342 0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5493 2.9370 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5945 1.6964 0.9783 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1866 -0.0132 -0.0042 Sn 0 0 0 0 0 3 0 0 0 0 0 0
-2.2175 -0.1655 -0.6426 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9107 -1.3591 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3447 -1.3433 -0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1322 -2.5108 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9796 -1.8289 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4550 -1.5158 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1950 -2.8305 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6766 -2.5699 -0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1545 -2.4807 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9046 -2.9241 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9686 -1.8142 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5092 -1.0015 0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1803 0.5528 -0.1672 Sn 0 0 0 0 0 3 0 0 0 0 0 0
1.9001 0.1638 -0.4771 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2760 -1.2267 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7665 -1.3890 -0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2189 -2.7682 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9896 2.3953 -0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4593 3.2852 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2889 3.5970 1.1115 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8182 4.3043 0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4103 -1.6666 0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2572 -1.2905 -1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6167 1.9647 0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1881 2.1712 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1348 5.2160 -0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9467 5.3471 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9170 6.2869 0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1773 3.9988 1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5234 4.3481 1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1486 2.7935 -0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4928 3.1719 -0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6596 1.5155 1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0575 1.9414 1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8205 0.7242 -0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2027 -0.3361 -1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4151 -2.3056 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9190 -1.3447 1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8206 -0.3881 -0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3518 -1.4493 -1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9471 -2.8009 -0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6010 -2.2093 0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4577 -3.4004 0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7191 -2.3528 -1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6663 -2.4607 0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7885 -0.7936 -0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6257 -1.1167 0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9832 -3.2443 -1.1848 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8285 -3.5135 0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -2.7417 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8645 -1.5573 -0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2016 -3.2816 -0.7406 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0844 -2.3204 1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5366 -1.5782 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9557 -3.2546 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0899 -3.5439 -1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3535 -3.5988 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 -1.1145 -1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0793 -2.2260 -1.2222 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9346 -1.7075 1.1423 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3786 -0.5747 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4608 0.8969 0.1625 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2126 0.2928 -1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1037 -1.3516 1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6912 -1.9725 -0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9556 -1.2691 -1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2733 -0.5792 0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4426 -3.4779 -0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 -2.9937 -0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2867 -2.8333 1.2491 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8365 2.1179 -1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2628 2.9458 -1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2326 2.8106 0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8059 4.2271 -0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1133 2.6373 1.5237 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6770 4.2632 1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5409 4.6114 -0.6442 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7347 3.6779 0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1369 5.2210 0.9675 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