Monomers
bis(2-methylpropyl) (Z)-2-methylbut-2-enedioate
Identifiers
IUPAC name
bis(2-methylpropyl) (Z)-2-methylbut-2-enedioate
InchI
InChI=1S/C13H22O4/c1-9(2)7-16-12(14)6-11(5)13(15)17-8-10(3)4/h6,9-10H,7-8H2,1-5H3/b11-6-
InchI Key
GSWRSQKYPYOMBE-WDZFZDKYSA-N
SMILES
CC(COC(=O)/C=C(\C(=O)OCC(C)C)/C)C
Canonical SMILES
CC(C)COC(=O)C=C(C)C(=O)OCC(C)C
Isomeric SMILES
CC(C)COC(=O)/C=C(/C)\C(=O)OCC(C)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C13H22O4
Heavy Atom Count
17
Molecular Weight
242.315
Exact Molecular Weight
242.1518
Valence Electrons
98
Radical Electrons
0
tPSA
52.6
MolLogP
2.3311
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
39 38 0 0 0 0 0 0 0 0999 V2000
5.0578 -0.9176 -0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8450 0.5655 -0.5054 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4164 0.8613 0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2195 0.2442 1.2925 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0168 0.4884 0.6566 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0021 1.2959 -0.2995 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7763 -0.1855 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3829 0.0094 0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5691 -0.6878 1.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5181 -1.4979 1.9750 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8150 -0.5000 0.4236 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9625 -1.1754 0.8877 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1255 -0.7310 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4232 -1.3941 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2415 0.7737 0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5289 0.9380 -0.6098 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1677 1.2336 -0.8379 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 -1.4323 -0.9205 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7506 -1.1227 -1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5209 -1.3845 0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0944 0.9443 -1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2177 0.4066 1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4480 1.9391 1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8460 -0.8860 1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1498 -0.8855 1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8423 -2.2824 0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8638 -0.9478 -1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8523 -0.8865 1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1420 -2.4249 0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1282 -1.5020 -0.4038 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6453 1.1785 -0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8781 1.0842 1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2229 1.2021 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1097 0.5756 -1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5885 1.0194 -0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2235 1.9751 -0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6058 0.6735 -1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0215 2.2735 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8772 1.1617 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 3
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
13 15 1 0
8 16 1 0
2 17 1 0
1 18 1 0
1 19 1 0
1 20 1 0
2 21 1 0
3 22 1 0
3 23 1 0
7 24 1 0
12 25 1 0
12 26 1 0
13 27 1 0
14 28 1 0
14 29 1 0
14 30 1 0
15 31 1 0
15 32 1 0
15 33 1 0
16 34 1 0
16 35 1 0
16 36 1 0
17 37 1 0
17 38 1 0
17 39 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers