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
4.8810 -1.9020 0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6736 -1.7514 0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7136 -0.8383 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0286 -0.1741 -0.9494 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4335 -0.6822 0.5708 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4606 0.1722 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1238 1.3331 0.8965 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8192 2.2351 0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2699 3.6450 0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0032 1.8486 -1.2795 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4613 0.4248 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7053 -0.5419 -0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6332 -1.2085 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0787 -2.2657 1.2441 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8110 -1.7630 -0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1866 -1.3400 -0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5770 -2.5593 0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3488 -2.2953 1.5892 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9721 0.6519 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2561 1.0462 1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1014 1.8630 1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7839 2.2536 0.7142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7245 3.6946 0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9438 4.3456 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0998 4.0606 -0.8198 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8288 2.4960 -1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1139 2.0878 -1.8625 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5521 0.3256 -1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3387 0.1829 -2.5386 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2822 -1.3321 -1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0743 -0.4088 1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0914 -2.6552 0.9236 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7465 -3.1808 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0718 -1.9671 2.3234 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9903 -2.8341 -0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7202 -1.1623 -0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5493 -1.8044 -1.5007 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