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
4.8384 -1.1382 0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4920 0.2512 0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2190 1.1600 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1738 0.7884 -1.2727 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8511 0.6640 -0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6991 0.9134 0.3960 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7903 0.2755 -1.6969 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4596 0.1122 -1.4579 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1943 0.2681 -0.2178 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6939 0.6067 0.8794 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5847 0.0410 -0.1499 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3062 0.1929 1.0625 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7650 -0.1401 0.7206 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8935 -1.5411 0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6377 0.1126 1.9387 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3519 -0.3133 -2.6327 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7243 0.7677 1.4284 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3075 -1.0272 -0.8185 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4712 -1.6306 0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9222 -1.7396 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6451 0.1653 1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1264 1.2996 -1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0172 2.1957 -0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1203 0.0924 -2.7475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2440 1.2278 1.4403 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9551 -0.4777 1.8637 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1368 0.5417 -0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8700 -1.9422 0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8207 -1.6053 -0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0752 -2.2094 0.5863 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6899 -0.7537 2.6136 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2776 1.0390 2.4057 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6712 0.3216 1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8182 -0.1394 -3.5652 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2369 0.3646 -2.5847 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7106 -1.3421 -2.4745 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3807 1.3803 2.2751 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2845 -0.1280 1.8196 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3302 1.3462 0.7324 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