cyclopentyl 2-cyclohexylacetate;hydrochloride

C13H23ClO2 — CID 174567498

IUPACcyclopentyl 2-cyclohexylacetate;hydrochloride
SMILESCl.O=C(CC1CCCCC1)OC1CCCC1
InChIInChI=1S/C13H22O2.ClH/c14-13(15-12-8-4-5-9-12)10-11-6-2-1-3-7-11;/h11-12H,1-10H2;1H
InChIKeyAUTGADDTYIISJD-UHFFFAOYSA-N
MW246.78 g/mol
LogP3.86
Rot. Bonds3

About cyclopentyl 2-cyclohexylacetate;hydrochloride

cyclopentyl 2-cyclohexylacetate;hydrochloride (PubChem CID 174567498) has the molecular formula C13H23ClO2 and a molecular weight of 246.78 g/mol. Its IUPAC name is cyclopentyl 2-cyclohexylacetate;hydrochloride.

Molecular Properties

Compound Namecyclopentyl 2-cyclohexylacetate;hydrochloride
PubChem CID174567498
Molecular FormulaC13H23ClO2
Molecular Weight246.78 g/mol
Exact Mass246.14
IUPAC Namecyclopentyl 2-cyclohexylacetate;hydrochloride
SMILESCl.O=C(CC1CCCCC1)OC1CCCC1
InChIInChI=1S/C13H22O2.ClH/c14-13(15-12-8-4-5-9-12)10-11-6-2-1-3-7-11;/h11-12H,1-10H2;1H
InChIKeyAUTGADDTYIISJD-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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cyclohexyl propanoate;dihydrochloride
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cyclopentyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate
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cyclopentyl 3-cyclopentylpropanoate
CID 534685
(1-methylpyrrolidin-3-yl) 2-cyclopentylacetate
CID 142907839
dicyclohexyl pentanedioate
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methyl 2-cyclopentylacetate;hydrochloride
CID 174509285
cyclohexyl 2-[(2-cyclohexyloxy-2-oxoethyl)disulfanyl]acetate
CID 154117356
[4-[(2-cyclohexylacetyl)oxymethoxy]cyclohexyl]oxymethyl 2-cyclohexylacetate
CID 153456033
CID 70581321
CID 70581321
cyclohexyl 2-pyrrolidin-2-ylacetate
CID 61372710

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-cyclohexylacetate;hydrochloride?
The IUPAC name of cyclopentyl 2-cyclohexylacetate;hydrochloride (CID 174567498) is cyclopentyl 2-cyclohexylacetate;hydrochloride.
What is the SMILES notation for cyclopentyl 2-cyclohexylacetate;hydrochloride?
The canonical SMILES for cyclopentyl 2-cyclohexylacetate;hydrochloride is Cl.O=C(CC1CCCCC1)OC1CCCC1.
What is the InChIKey of cyclopentyl 2-cyclohexylacetate;hydrochloride?
The InChIKey is AUTGADDTYIISJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2.ClH/c14-13(15-12-8-4-5-9-12)10-11-6-2-1-3-7-11;/h11-12H,1-10H2;1H.
What are the key properties of cyclopentyl 2-cyclohexylacetate;hydrochloride?
cyclopentyl 2-cyclohexylacetate;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-cyclohexylacetate;hydrochloride is sourced from PubChem (CID 174567498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).