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
4.6094 -1.0447 -0.8914 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8712 0.1165 -1.5203 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7131 1.2487 -0.5619 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9991 0.9084 0.5949 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6611 0.4567 0.5587 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1664 0.3859 -0.5673 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0137 0.1298 1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1734 -0.2910 1.9935 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2552 -0.5787 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0603 -0.4073 -0.1511 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4836 -1.0290 1.4464 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6191 -1.3393 0.7391 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3126 -0.2201 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6093 0.5685 -0.9584 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5983 -0.7792 -0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5615 -0.5499 3.4635 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7780 0.6006 -2.6632 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3121 -1.1401 0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7008 -0.8970 -0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2895 -1.9718 -1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9175 -0.1686 -1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1747 2.0782 -1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6948 1.6838 -0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6289 0.2572 2.7402 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3909 -1.8451 1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4322 -2.1685 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6948 0.5288 0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1146 0.0071 -1.7651 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9626 1.3835 -0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4210 1.1527 -1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9460 -0.1413 -1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4239 -1.8053 -0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3992 -0.8284 0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2349 -1.4122 3.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0747 0.3331 3.8691 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3478 -0.7845 4.0456 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5444 1.2695 -2.2151 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2184 -0.2723 -3.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1273 1.2180 -3.3215 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