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
-3.8370 1.6435 0.6942 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1825 0.6612 -0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2149 0.8979 -1.5387 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8985 0.7025 -1.1330 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4242 -0.4967 -0.6454 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2083 -1.4775 -0.5563 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0300 -0.5914 -0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4964 -1.6985 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8950 -1.7102 0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4559 -2.7399 1.0575 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6910 -0.5793 0.4670 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0605 -0.5665 0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6092 0.8173 0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4754 1.1864 -0.9094 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8603 1.7863 1.4349 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2948 -2.9352 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5711 0.9435 -0.9541 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2549 1.3609 1.6666 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1286 2.6810 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7307 1.6365 0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1630 -0.3519 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5282 0.2300 -2.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3202 1.9514 -1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5891 0.2824 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2040 -0.8920 1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5690 -1.3133 0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7042 0.7886 0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5701 2.3071 -0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4665 0.8767 -1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2807 0.7634 -1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8095 1.4752 1.5833 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8914 2.8162 1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3324 1.8625 2.4512 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3459 -3.7774 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7179 -3.2732 -0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1612 -2.7883 1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3457 0.4066 -0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7070 2.0281 -1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5877 0.5389 -1.9930 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