3-cyclohexylbut-1-yn-1-ol

C10H16O — CID 18801125

IUPAC3-cyclohexylbut-1-yn-1-ol
SMILESCC(C#CO)C1CCCCC1
InChIInChI=1S/C10H16O/c1-9(7-8-11)10-5-3-2-4-6-10/h9-11H,2-6H2,1H3
InChIKeyCPIXYSJHEFGRDR-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.54
Rot. Bonds1

About 3-cyclohexylbut-1-yn-1-ol

3-cyclohexylbut-1-yn-1-ol (PubChem CID 18801125) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-cyclohexylbut-1-yn-1-ol.

Molecular Properties

Compound Name3-cyclohexylbut-1-yn-1-ol
PubChem CID18801125
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-cyclohexylbut-1-yn-1-ol
SMILESCC(C#CO)C1CCCCC1
InChIInChI=1S/C10H16O/c1-9(7-8-11)10-5-3-2-4-6-10/h9-11H,2-6H2,1H3
InChIKeyCPIXYSJHEFGRDR-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylbut-1-yn-1-ol?
The IUPAC name of 3-cyclohexylbut-1-yn-1-ol (CID 18801125) is 3-cyclohexylbut-1-yn-1-ol.
What is the SMILES notation for 3-cyclohexylbut-1-yn-1-ol?
The canonical SMILES for 3-cyclohexylbut-1-yn-1-ol is CC(C#CO)C1CCCCC1.
What is the InChIKey of 3-cyclohexylbut-1-yn-1-ol?
The InChIKey is CPIXYSJHEFGRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9(7-8-11)10-5-3-2-4-6-10/h9-11H,2-6H2,1H3.
What are the key properties of 3-cyclohexylbut-1-yn-1-ol?
3-cyclohexylbut-1-yn-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylbut-1-yn-1-ol is sourced from PubChem (CID 18801125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).