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
-4.8689 1.2687 -0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8154 0.2189 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3567 -1.1125 -0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0808 -1.0971 -0.8151 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9140 -0.7396 -0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0409 -0.4019 1.0350 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6078 -0.7441 -0.8128 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5092 -0.4043 -0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7549 -0.4437 -0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7887 -0.7993 -2.1546 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9807 -0.1048 -0.3794 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1827 -0.1655 -1.1639 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3782 0.2411 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3042 1.6310 0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5064 -0.7424 0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4534 0.0068 1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1826 0.0468 0.9025 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5453 2.0983 -0.5293 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2158 0.7587 -1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8507 1.6752 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1488 0.6044 1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0662 -1.4454 -1.0465 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4708 -1.8429 0.5743 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6094 -1.0547 -1.8625 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2822 -1.2322 -1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0608 0.4023 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2725 0.0858 -1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7618 2.3161 -0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2478 1.8992 0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8648 1.7801 1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4609 -0.5384 1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6168 -0.6388 1.4472 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5043 -1.7596 0.3298 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1597 0.9006 1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0975 -0.8641 1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4937 0.2542 1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8637 -0.5611 0.2508 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0758 -0.5127 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6483 1.0174 1.1160 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