1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid

C15H24O2 — CID 114620874

IUPAC1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(C2C=CCCC2)CC1
InChIInChI=1S/C15H24O2/c1-2-12-8-10-15(11-9-12,14(16)17)13-6-4-3-5-7-13/h4,6,12-13H,2-3,5,7-11H2,1H3,(H,16,17)
InChIKeyJTACGLNDEAWJGA-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.01
Rot. Bonds3

About 1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid

1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 114620874) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid
PubChem CID114620874
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)(C2C=CCCC2)CC1
InChIInChI=1S/C15H24O2/c1-2-12-8-10-15(11-9-12,14(16)17)13-6-4-3-5-7-13/h4,6,12-13H,2-3,5,7-11H2,1H3,(H,16,17)
InChIKeyJTACGLNDEAWJGA-UHFFFAOYSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2E)-cyclooct-2-en-1-yl]-3-ethylcyclopentane-1-carboxylic acid
CID 114228097
1-cyclohex-2-en-1-ylcyclohexane-1-carboxylic acid
CID 114620507
1-cyclohex-2-en-1-yl-3-methylcyclopentane-1-carboxylic acid
CID 114620879
3-cyclohex-2-en-1-yl-8-ethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 58695815
1-(1-carboxycyclohexyl)-4-ethylcyclohexane-1-carboxylic acid
CID 70366227
1-(4-ethylcyclohexyl)cycloheptane-1-carboxylic acid
CID 79428746
3-ethyl-1-(2-hydroxycycloheptyl)cyclopentane-1-carboxylic acid
CID 79429347
4-(1-cyclohex-2-en-1-ylcyclopropyl)-3-methylbutan-2-one
CID 67125631
4-ethyl-1-(oxolan-3-yl)cyclohexane-1-carboxylic acid
CID 79429126
4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid
CID 114989210
1-(3-ethylcyclohexyl)-4-methylcyclohexane-1-carboxylic acid
CID 79425098
1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid
CID 79425993

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid (CID 114620874) is 1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(C(=O)O)(C2C=CCCC2)CC1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is JTACGLNDEAWJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-2-12-8-10-15(11-9-12,14(16)17)13-6-4-3-5-7-13/h4,6,12-13H,2-3,5,7-11H2,1H3,(H,16,17).
What are the key properties of 1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid?
1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 236.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 114620874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).