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
-5.4818 1.7675 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3928 0.7081 0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1891 0.3096 -1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2156 -0.6586 -1.2324 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8809 -0.3934 -0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6667 0.7249 -0.4064 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9001 -1.3927 -1.0646 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3662 -1.3322 -0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0659 -0.2180 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6282 0.8989 0.1033 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4577 -0.3431 -0.0163 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2074 0.7475 0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6434 0.2404 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1758 -0.1298 -0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5061 1.2648 1.3063 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2344 -2.5587 -1.0961 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8082 -0.5260 1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4864 1.3053 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4453 2.3101 1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2888 2.4672 -0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5156 1.1183 0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1600 -0.1355 -1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0455 1.1931 -1.7268 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2756 -2.3733 -1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8324 1.0520 1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1478 1.5589 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6237 -0.6582 1.2543 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2833 -0.1296 -0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8959 0.5909 -1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8227 -1.1515 -0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9684 2.2252 1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7511 0.9685 2.3504 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4786 1.4164 0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1332 -2.1594 -1.5863 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4824 -3.0008 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6660 -3.2543 -1.7116 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5409 -1.1301 0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2139 -0.1983 2.1424 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8631 -1.1240 1.2923 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