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
5.2344 -0.5959 0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8157 -0.0401 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6657 -0.6984 -1.0625 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4425 -0.7286 -0.4667 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9287 -1.2879 0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7107 -1.9730 1.3569 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5256 -1.1435 1.0727 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3548 -0.4439 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7329 -0.3570 0.8897 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9977 -0.9591 1.9553 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7257 0.3386 0.2614 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0568 0.4345 0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9299 1.2579 -0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0396 0.7289 -1.5542 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3208 1.2766 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0452 0.2410 -0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0302 -0.2430 -1.3422 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6812 -0.2402 1.7819 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3097 -0.2539 1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3054 -1.6941 0.8357 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6968 1.0689 -0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5001 -0.2399 -2.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0370 -1.7381 -1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2278 -1.6399 1.9881 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5293 -0.5471 0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0053 0.9356 1.7195 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5837 2.3128 -0.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9512 1.1726 -2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1747 1.0458 -2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1743 -0.3698 -1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4525 0.3761 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1074 1.3137 -0.3367 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3793 2.1525 1.1281 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8553 0.9497 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4375 -0.4859 -1.5978 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7783 0.8587 -1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8803 0.3465 -0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6975 0.1696 -2.3298 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2670 -1.3008 -1.4695 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