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
-5.7501 -1.7073 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5172 -0.8159 0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5337 -1.0378 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3623 -0.3456 -0.7075 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1454 0.9783 -0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1002 1.7326 -1.1233 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7865 1.5648 -0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2212 0.7535 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5525 1.3851 -0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7481 2.5964 -0.7995 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6599 0.5849 -0.3781 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9813 1.1499 -0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9063 -0.0369 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3166 0.4976 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5012 -0.7682 1.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0697 -0.6943 -0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8975 0.5700 0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3380 -2.7032 -0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3760 -1.2444 -0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2788 -1.8725 1.1669 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0223 -1.2530 1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2695 -2.1466 -0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0895 -0.9781 -1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7012 2.6101 -1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1535 1.5607 -1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0996 1.8897 0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8518 -0.7731 -0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5694 0.8424 -1.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3152 1.3775 0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9930 -0.3025 0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3887 -0.7609 1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9218 -0.2615 2.0685 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8642 -1.8008 1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1118 -1.1154 -0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3100 -1.2409 -1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4810 -0.9574 0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4342 1.0814 -0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1187 1.1737 1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7137 0.4678 1.5549 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