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
-6.5659 -0.3381 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2520 -0.0603 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1477 -0.5361 -0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9122 -0.2914 0.3479 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7514 -0.6524 -0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8451 -1.1786 -1.4336 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4744 -0.3989 0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6339 -0.7423 -0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9341 -0.4721 0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9708 0.0586 1.4639 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0672 -0.8097 -0.2762 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3975 -0.7231 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9407 0.6641 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3810 1.5962 1.0229 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4357 0.5338 0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5743 -1.3753 -1.6587 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1108 1.4504 0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6547 -1.4273 -0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4055 -0.0712 0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5752 0.2510 -0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1429 -0.5798 1.6052 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2176 0.0862 -1.1944 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2526 -1.5946 -0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4338 0.0705 1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9249 -1.2558 -0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7246 -1.2970 0.8981 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8135 1.1410 -1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2941 1.1670 2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1718 2.4318 1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4492 2.1040 0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7979 1.5599 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9247 0.0119 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5304 -0.0756 1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6488 -1.5800 -1.9615 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1119 -2.3827 -1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 -0.6904 -2.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8029 1.8693 -0.1984 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0718 1.9044 1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2878 1.6324 1.4839 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