Monomers
2-Propenoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester
Identifiers
IUPAC name
(5-methyl-2-propan-2-ylcyclohexyl) prop-2-enoate
InchI
InChI=1S/C13H22O2/c1-5-13(14)15-12-8-10(4)6-7-11(12)9(2)3/h5,9-12H,1,6-8H2,2-4H3
InchI Key
XJBRSZAYOKVFRH-UHFFFAOYSA-N
SMILES
C=CC(=O)OC1CC(C)CCC1C(C)C
Canonical SMILES
CC1CCC(C(C1)OC(=O)C=C)C(C)C
Isomeric SMILES
CC1CCC(C(C1)OC(=O)C=C)C(C)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C13H22O2
Heavy Atom Count
15
Molecular Weight
210.317
Exact Molecular Weight
210.162
Valence Electrons
86
Radical Electrons
0
tPSA
26.3
MolLogP
3.1764
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
37 37 0 0 0 0 0 0 0 0999 V2000
4.2839 -0.9514 1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9776 -1.0518 1.6869 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3154 -0.5461 0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9829 -0.0230 -0.4514 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9436 -0.6121 0.3114 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3267 -0.1153 -0.8586 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2605 -1.2475 -1.6609 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6184 -1.6644 -1.2528 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6420 -3.1485 -0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1590 -0.9222 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0500 0.5529 -0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6370 0.9998 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2151 1.8246 0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1216 2.4676 0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2903 2.8623 0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8699 -0.5067 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8055 -1.3053 2.6283 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4401 -1.5026 2.5024 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1398 0.2931 -1.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4370 -2.1086 -1.5532 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2761 -1.0220 -2.7559 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3635 -1.5377 -2.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6483 -3.5638 -1.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4114 -3.2938 0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8561 -3.6740 -1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6953 -1.2174 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2612 -1.1465 -0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5554 1.0907 0.4628 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6726 0.7306 -1.2786 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6457 1.6996 -1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2263 1.1136 1.4745 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5660 2.3301 -0.5649 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9955 3.5866 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8421 2.2064 1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7824 3.7987 1.1358 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8366 3.0321 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9443 2.5719 1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
8 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
13 15 1 0
12 6 1 0
1 16 1 0
1 17 1 0
2 18 1 0
6 19 1 0
7 20 1 0
7 21 1 0
8 22 1 0
9 23 1 0
9 24 1 0
9 25 1 0
10 26 1 0
10 27 1 0
11 28 1 0
11 29 1 0
12 30 1 0
13 31 1 0
14 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
15 37 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers