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
4.6565 -2.2879 -0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7128 -1.5217 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5501 -1.1099 0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3723 -1.4384 1.3782 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5968 -0.3104 -0.4029 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4365 0.1233 0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5565 1.6148 0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2444 2.3536 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0986 3.8410 -0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6861 1.9898 -0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9321 0.5246 -0.4371 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7390 -0.3383 -0.4516 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1317 -1.7112 0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4855 -1.6422 1.5634 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2298 -2.3364 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5933 -2.6302 0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5042 -2.5795 -0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8332 -1.2153 -1.6202 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5070 -0.3000 1.3555 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6031 1.9791 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1778 1.9484 1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1334 2.1237 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1835 4.4066 -1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0196 4.2589 0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7175 4.0406 0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9767 2.4011 0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2857 2.5608 -1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6284 0.2540 0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5534 0.3336 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4786 -0.5551 -1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2256 -2.3408 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4101 -0.6151 1.9747 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8723 -2.3570 2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5515 -1.9518 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1733 -2.3591 -0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4072 -1.7558 -1.6209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0049 -3.3975 -0.9624 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