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
-6.0702 0.7550 0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6090 0.4952 0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8775 0.3914 -0.8767 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4842 0.1458 -0.6859 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6467 0.0197 -1.7739 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1765 0.1321 -2.9104 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2198 -0.2299 -1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4012 -0.3585 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8339 -0.6088 -0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4690 -0.6997 -1.5284 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5343 -0.7513 0.7184 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9079 -0.9918 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7606 0.0803 0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2087 -0.3149 0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4542 1.4569 0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3866 -0.2441 0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4789 -0.7930 1.2119 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2119 1.0332 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4025 1.6334 0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7128 -0.1238 0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2053 1.2995 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3121 -0.4448 -1.4585 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9400 1.3501 -1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3724 -0.3167 -2.5764 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1482 -1.0002 1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2399 -1.9601 0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5924 0.0649 -0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9113 0.5168 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2821 -0.7078 1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4009 -1.1982 -0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3986 1.8768 1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1703 2.1478 -0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6524 1.4222 1.4387 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2832 -0.4120 1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1416 -1.0512 0.8021 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8429 0.7732 0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4430 -0.6124 2.3154 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3340 -1.4861 0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5261 -1.2892 0.9357 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