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
4.5034 1.9964 0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3006 1.8816 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2836 1.1224 0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5424 0.5562 1.5992 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9945 0.9648 0.0046 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0438 0.2188 0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0422 1.1431 1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1377 1.3627 0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2742 2.0881 0.9027 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7058 0.0495 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5636 -0.6487 -0.9962 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4566 -0.9753 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6325 -1.6615 -0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7569 -2.1617 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0369 -2.8511 -1.5006 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3060 2.5481 -0.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7182 1.5146 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0726 2.3526 -1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5396 -0.1584 1.6416 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5665 2.1388 1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4535 0.8168 2.1802 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8067 1.9493 -0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0805 3.1680 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1854 1.9129 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4640 1.5787 1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4580 0.3183 -1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1239 -0.5757 0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2209 0.0176 -1.8087 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9290 -1.5970 -1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8538 -1.7350 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0464 -0.9630 -1.6044 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5537 -2.0312 1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7234 -1.6420 -0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9477 -3.2272 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4585 -2.5509 -2.4681 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7242 -3.6618 -1.6557 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8716 -3.2590 -0.8942 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