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
6.0330 0.3005 0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6121 -0.0546 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7083 1.1402 0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3981 0.8246 0.3904 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6175 -0.1205 0.9966 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1263 -0.7579 1.9598 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2658 -0.3606 0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3174 0.2681 -0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6853 -0.0617 -0.8354 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2496 0.5355 -1.7847 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4253 -1.0371 -0.1746 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7367 -1.3852 -0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7112 -0.2347 -0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0775 -0.7753 -0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7985 0.3168 1.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3895 1.3197 -1.2214 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5740 -0.5550 -0.8168 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6532 -0.5835 1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5213 0.9117 0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9813 0.9451 1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3296 -0.9087 1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7766 1.5932 1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0726 1.9362 0.0574 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2891 -1.1436 1.0845 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8467 -1.7969 -1.5216 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0593 -2.1842 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4791 0.5791 -1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8950 -0.0966 -0.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0815 -0.9344 -1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2746 -1.7647 -0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8452 0.6334 1.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5518 -0.4411 1.7821 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1813 1.2423 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3094 0.8685 -1.6473 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7157 2.1208 -0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2525 1.7364 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2112 0.0697 -1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9345 -1.6029 -0.8256 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5276 -0.5426 -1.1875 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