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
6.1738 -0.1370 -0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6715 0.2610 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8512 -0.9747 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4949 -0.8875 -0.2927 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6581 -0.3101 0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1316 0.2649 1.5972 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1860 -0.3244 0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3901 -0.9071 -0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8376 -0.9276 -0.7874 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3758 -1.4882 -1.7773 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7111 -0.3356 0.1158 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1121 -0.3506 -0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8412 0.3491 1.0495 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4588 1.8065 1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3291 0.2540 0.7494 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4389 -1.5744 -1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5748 1.3156 0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7353 0.8202 -0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3637 -0.6459 0.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3667 -0.7788 -1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4368 0.6512 -1.5432 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2352 -1.5621 0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1175 -1.6480 -1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4371 0.1485 1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5243 -1.3731 -0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3388 0.1695 -1.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6964 -0.1842 2.0324 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3593 2.4551 1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7864 2.1240 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9082 1.9295 2.1215 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5565 -0.7315 0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9306 0.3538 1.6817 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6299 1.0231 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1111 -0.8698 -2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9680 -2.4209 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1974 -2.0265 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6974 0.8857 1.5282 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4780 2.0241 0.4513 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7301 1.9866 0.3781 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