1-cyclopentyloxycyclohexane-1-carboxylic acid

C12H20O3 — CID 82236545

IUPAC1-cyclopentyloxycyclohexane-1-carboxylic acid
SMILESO=C(O)C1(OC2CCCC2)CCCCC1
InChIInChI=1S/C12H20O3/c13-11(14)12(8-4-1-5-9-12)15-10-6-2-3-7-10/h10H,1-9H2,(H,13,14)
InChIKeyJXLSSSBENWYOJO-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.73
Rot. Bonds3

About 1-cyclopentyloxycyclohexane-1-carboxylic acid

1-cyclopentyloxycyclohexane-1-carboxylic acid (PubChem CID 82236545) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-cyclopentyloxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyloxycyclohexane-1-carboxylic acid
PubChem CID82236545
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-cyclopentyloxycyclohexane-1-carboxylic acid
SMILESO=C(O)C1(OC2CCCC2)CCCCC1
InChIInChI=1S/C12H20O3/c13-11(14)12(8-4-1-5-9-12)15-10-6-2-3-7-10/h10H,1-9H2,(H,13,14)
InChIKeyJXLSSSBENWYOJO-UHFFFAOYSA-N
XLogP2.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-cyclohexyloxycarbonylcyclopentane-1-carboxylic acid
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1-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylic acid
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1-(cyclopropylmethoxy)cycloheptane-1-carboxylic acid
CID 82238446
2-cyclobutyloxy-1,3-dihydroindene-2-carboxylic acid
CID 114997823
2-(1-cycloheptyloxycyclobutyl)acetic acid
CID 103272679
1-cyclohexyloxy-1-methylcyclohexane
CID 57243949
1-(2-hydroxyethoxy)cyclooctane-1-carboxylic acid
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3-cyclobutyloxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxycyclohexane-1-carboxylic acid?
The IUPAC name of 1-cyclopentyloxycyclohexane-1-carboxylic acid (CID 82236545) is 1-cyclopentyloxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-cyclopentyloxycyclohexane-1-carboxylic acid?
The canonical SMILES for 1-cyclopentyloxycyclohexane-1-carboxylic acid is O=C(O)C1(OC2CCCC2)CCCCC1.
What is the InChIKey of 1-cyclopentyloxycyclohexane-1-carboxylic acid?
The InChIKey is JXLSSSBENWYOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c13-11(14)12(8-4-1-5-9-12)15-10-6-2-3-7-10/h10H,1-9H2,(H,13,14).
What are the key properties of 1-cyclopentyloxycyclohexane-1-carboxylic acid?
1-cyclopentyloxycyclohexane-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 82236545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).