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
5.1496 -1.9606 -1.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2511 -0.5075 -1.4713 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4332 0.3263 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0753 -0.0878 -0.5173 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0992 0.4852 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4627 1.4140 1.0408 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7219 0.0265 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2498 0.5340 0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6254 0.0644 0.8401 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8599 -0.8650 0.0328 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6630 0.5414 1.5545 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9920 0.2398 1.6067 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8673 0.4462 0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5701 -0.2840 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2775 -0.0102 0.8754 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0420 1.6324 1.8711 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6271 -0.3085 -2.8199 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9713 -2.1700 -0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2861 -2.6244 -1.9347 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1630 -2.1091 -0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2942 -0.1500 -1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8943 0.1796 0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5558 1.3912 -0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4726 -0.7725 -0.4836 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0547 -0.8781 1.8449 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5222 0.6820 2.4973 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0317 1.5210 0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8161 0.1820 -1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4213 -1.3578 -0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5461 -0.2631 -1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3923 -1.1024 0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4129 0.1334 1.9678 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0592 0.5521 0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7745 1.3445 2.6513 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4389 2.5380 1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8720 1.9807 2.4034 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7659 0.3927 -2.8056 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3650 -1.2903 -3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3900 0.1340 -3.5044 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