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
-6.1928 0.3423 -0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7341 0.0064 -0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2739 0.7708 1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9249 0.5441 1.3370 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8465 0.8209 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1244 1.3049 -0.6257 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4790 0.5651 0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5182 0.8318 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9147 0.5641 0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1779 0.0816 1.6314 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9392 0.8501 -0.3419 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2988 0.6542 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6486 -0.7986 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3024 -1.6828 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1760 -0.8367 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2834 1.4054 -1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5754 -1.4770 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6879 0.4384 0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6355 -0.4969 -1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2856 1.2980 -0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1366 0.2460 -1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4685 1.8661 0.8058 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8890 0.4946 1.8901 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2850 0.1400 1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8565 1.0085 -1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6347 1.3181 0.7283 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1538 -1.0782 1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2228 -1.9309 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6940 -1.2353 -1.8901 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8340 -2.6507 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5155 -0.3959 1.2692 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4651 -1.9118 0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5588 -0.3162 -0.5806 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3015 1.6118 -1.7017 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3080 0.7534 -1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1679 2.4151 -1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4860 -1.6541 0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9145 -2.0891 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0803 -1.7776 0.9978 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