1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid

C14H24O2 — CID 79425993

IUPAC1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid
SMILESCCC1CCCC(C2(C(=O)O)CCCC2)C1
InChIInChI=1S/C14H24O2/c1-2-11-6-5-7-12(10-11)14(13(15)16)8-3-4-9-14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyPCNLXMIVJPPSJB-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds3

About 1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid

1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid (PubChem CID 79425993) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid
PubChem CID79425993
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid
SMILESCCC1CCCC(C2(C(=O)O)CCCC2)C1
InChIInChI=1S/C14H24O2/c1-2-11-6-5-7-12(10-11)14(13(15)16)8-3-4-9-14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyPCNLXMIVJPPSJB-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethylcyclohexyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79429223
1-(3-ethylcyclohexyl)-4-methylcyclohexane-1-carboxylic acid
CID 79425098
1-(4-ethylcyclohexyl)cycloheptane-1-carboxylic acid
CID 79428746
1-(3-methoxycyclohexyl)cyclobutane-1-carboxylic acid
CID 79425629
1-(1,1-dioxothiolan-3-yl)-3-ethylcyclohexane-1-carboxylic acid
CID 65402705
1-cyclopentyl-4-propylcyclohexane-1-carboxylic acid
CID 79428277
bis[1-(4-ethylcyclohexyl)cyclohexyl]methanone
CID 141225020
1-(4-hexylcyclohexyl)cyclohexane-1-carboxylic acid
CID 67791495
1-(1-carboxycyclohexyl)-4-ethylcyclohexane-1-carboxylic acid
CID 70366227
1-(3,5-dimethylcyclohexyl)cyclooctane-1-carboxylic acid
CID 80611832
3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol
CID 80562979
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid
CID 79923331

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid (CID 79425993) is 1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid is CCC1CCCC(C2(C(=O)O)CCCC2)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid?
The InChIKey is PCNLXMIVJPPSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-11-6-5-7-12(10-11)14(13(15)16)8-3-4-9-14/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of 1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid?
1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid has a molecular weight of 224.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79425993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).