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
-6.1538 0.2265 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6927 -0.2488 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7746 0.9153 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4561 0.6691 0.0883 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5498 0.3070 -0.8058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9239 0.1057 -1.9994 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1461 0.1339 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2790 0.3327 0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6921 0.1630 1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0476 0.3657 2.3103 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6591 -0.2112 0.2261 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0347 -0.3703 0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8698 -0.7864 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7232 0.3340 -1.6193 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3154 -0.8409 -0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6654 0.7401 1.8247 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5940 -0.9527 -1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5894 0.5373 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6866 -0.6217 0.7897 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1314 1.0557 1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4684 -1.0089 0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1481 1.7111 -0.5238 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9549 1.3420 1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5844 -0.1650 -1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1640 -1.0915 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3472 0.6278 0.9774 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5529 -1.7342 -1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2950 0.1278 -2.5236 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0909 1.2592 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6348 0.4644 -1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6684 0.1706 0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9584 -1.2662 -0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3883 -1.5223 0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1119 1.7532 1.6331 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0806 0.8881 2.7666 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4319 -0.0340 2.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5309 -1.5773 -1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5035 -0.1976 -2.0063 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7114 -1.6015 -1.2036 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