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
4.5190 -0.9713 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0637 -0.2270 0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6656 0.2575 0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2348 0.9675 1.7943 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7822 -0.0600 -0.1566 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4559 0.3794 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1646 1.3198 -1.3234 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1763 1.9736 -1.0273 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4756 3.1268 -1.9179 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2095 0.8465 -1.1589 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9328 -0.0853 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5637 -0.7094 -0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3096 -1.7785 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4447 -2.8010 0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3219 -1.2994 2.2517 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5455 -1.3196 -0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8282 -1.2244 -0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7302 0.0366 1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2976 0.9944 0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9002 2.1324 -1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0346 0.7468 -2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1794 2.2384 0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3670 2.9380 -2.5335 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6218 3.4732 -2.5244 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7451 4.0010 -1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0513 0.3302 -2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2414 1.2387 -1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9402 0.5585 0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7102 -0.8747 0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5589 -1.2041 -1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6621 -2.2529 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0907 -3.7736 1.1216 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7158 -2.9063 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2742 -2.4233 1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7284 -1.1692 2.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7595 -2.0895 2.8966 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9230 -0.3898 2.4141 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