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
4.8037 -1.3060 0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9086 0.1785 0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9124 0.9585 -0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5732 0.6768 -0.1184 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6837 0.7564 0.9021 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1209 1.1863 2.0040 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2634 0.3671 0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1752 -0.0780 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6021 -0.4764 -0.5475 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0149 -0.9005 -1.6493 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4970 -0.4033 0.4541 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8107 -0.6528 0.6473 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7279 0.2844 -0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1885 -0.0871 0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6363 0.3331 -1.5541 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6841 -0.2179 -1.5851 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9430 0.4302 1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6009 -1.8342 0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9550 -1.3916 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7972 -1.6622 0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9244 0.5205 0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1438 2.0513 -0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1368 0.8502 -1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3887 0.4507 1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0383 -0.6315 1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1179 -1.7204 0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5153 1.3058 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1499 -0.5555 1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4964 -0.8167 -0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7619 0.8453 0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6131 -0.6852 -1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8278 0.9616 -1.9651 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6196 0.7834 -1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4761 -0.9740 -1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1105 0.7507 -1.9202 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1139 -0.7013 -2.4078 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0078 0.2007 2.3525 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2746 -0.2860 2.5026 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7473 1.4890 2.2109 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