[1-(2-cyclohexylethynyl)cyclopentyl] acetate

C15H22O2 — CID 177097414

IUPAC[1-(2-cyclohexylethynyl)cyclopentyl] acetate
SMILESCC(=O)OC1(C#CC2CCCCC2)CCCC1
InChIInChI=1S/C15H22O2/c1-13(16)17-15(10-5-6-11-15)12-9-14-7-3-2-4-8-14/h14H,2-8,10-11H2,1H3
InChIKeyCZXFHELUUWATAX-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.45
Rot. Bonds1

About [1-(2-cyclohexylethynyl)cyclopentyl] acetate

[1-(2-cyclohexylethynyl)cyclopentyl] acetate (PubChem CID 177097414) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is [1-(2-cyclohexylethynyl)cyclopentyl] acetate.

Molecular Properties

Compound Name[1-(2-cyclohexylethynyl)cyclopentyl] acetate
PubChem CID177097414
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name[1-(2-cyclohexylethynyl)cyclopentyl] acetate
SMILESCC(=O)OC1(C#CC2CCCCC2)CCCC1
InChIInChI=1S/C15H22O2/c1-13(16)17-15(10-5-6-11-15)12-9-14-7-3-2-4-8-14/h14H,2-8,10-11H2,1H3
InChIKeyCZXFHELUUWATAX-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-piperidin-1-ium-1-ylprop-1-ynyl)cyclohexyl] acetate
CID 3305218
[1-(3-piperidin-1-ylprop-1-ynyl)cyclohexyl] acetate
CID 847499
(1-cyclohexylcyclopentyl) acetate
CID 12039389
[4-[2-[1-(2-cyclohexylethynyl)cyclopentyl]oxy-2-oxoethoxy]-3-fluorophenyl]-diphenylsulfanium
CID 169050669
[1-[3-(4-methylpiperazine-1,4-diium-1-yl)prop-1-ynyl]cyclohexyl] acetate
CID 3327362
(1-cyclohexylcyclopropyl) acetate
CID 91131251
[4-[2-[1-(2-cyclopentylethynyl)cyclopentyl]oxy-2-oxoethoxy]-3-fluorophenyl]-diphenylsulfanium
CID 169050856
(1-hydroxycyclooctyl) acetate
CID 91039609
7-oxabicyclo[4.1.0]heptan-1-yl acetate
CID 539060
[(1R,2R)-2-hydroxy-1-methylcyclohexyl] acetate
CID 11062866
[1-[3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]prop-1-ynyl]cyclohexyl] acetate
CID 714465
(1-cyclobutylcyclopentyl) acetate
CID 177097462

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclohexylethynyl)cyclopentyl] acetate?
The IUPAC name of [1-(2-cyclohexylethynyl)cyclopentyl] acetate (CID 177097414) is [1-(2-cyclohexylethynyl)cyclopentyl] acetate.
What is the SMILES notation for [1-(2-cyclohexylethynyl)cyclopentyl] acetate?
The canonical SMILES for [1-(2-cyclohexylethynyl)cyclopentyl] acetate is CC(=O)OC1(C#CC2CCCCC2)CCCC1.
What is the InChIKey of [1-(2-cyclohexylethynyl)cyclopentyl] acetate?
The InChIKey is CZXFHELUUWATAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-13(16)17-15(10-5-6-11-15)12-9-14-7-3-2-4-8-14/h14H,2-8,10-11H2,1H3.
What are the key properties of [1-(2-cyclohexylethynyl)cyclopentyl] acetate?
[1-(2-cyclohexylethynyl)cyclopentyl] acetate has a molecular weight of 234.34 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclohexylethynyl)cyclopentyl] acetate is sourced from PubChem (CID 177097414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).