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
-5.1926 0.3934 1.4339 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0423 0.5695 -0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5683 0.7423 -0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8546 -0.3902 0.0644 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4517 -0.4348 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0070 0.6002 -0.6769 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6784 -1.5830 0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5817 -1.8154 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6347 -0.9780 -0.3331 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4010 0.1583 -0.8309 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9434 -1.3647 -0.3479 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0903 -0.7838 -0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6272 0.3879 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9360 0.8862 -0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7012 1.5395 0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0569 -3.1533 0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8192 1.7701 -0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5744 -0.6160 1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2179 0.4913 1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8485 1.1892 1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3756 -0.3396 -0.6089 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3981 0.9839 -1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2236 1.5942 0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3255 -2.3767 0.7665 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9180 -1.5639 -0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9630 -0.5101 -1.8849 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9396 0.0051 0.9812 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7704 0.1973 -0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1991 1.8855 -0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8368 0.9822 -1.7648 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3284 1.9389 -0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3253 2.3781 0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9153 1.3707 0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2405 -3.8874 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2482 -2.9792 1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9612 -3.4779 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1432 1.5641 -1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1812 2.6536 -0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7164 1.9724 0.0654 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