2-cyclohexylbut-3-yn-2-ol

C10H16O — CID 11182706

IUPAC2-cyclohexylbut-3-yn-2-ol
SMILESC#CC(C)(O)C1CCCCC1
InChIInChI=1S/C10H16O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,9,11H,4-8H2,2H3
InChIKeyQHMLEMNWJBMRRE-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.95
Rot. Bonds1

About 2-cyclohexylbut-3-yn-2-ol

2-cyclohexylbut-3-yn-2-ol (PubChem CID 11182706) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-cyclohexylbut-3-yn-2-ol.

Molecular Properties

Compound Name2-cyclohexylbut-3-yn-2-ol
PubChem CID11182706
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-cyclohexylbut-3-yn-2-ol
SMILESC#CC(C)(O)C1CCCCC1
InChIInChI=1S/C10H16O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,9,11H,4-8H2,2H3
InChIKeyQHMLEMNWJBMRRE-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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 2-cyclohexylbut-3-yn-2-ol?
The IUPAC name of 2-cyclohexylbut-3-yn-2-ol (CID 11182706) is 2-cyclohexylbut-3-yn-2-ol.
What is the SMILES notation for 2-cyclohexylbut-3-yn-2-ol?
The canonical SMILES for 2-cyclohexylbut-3-yn-2-ol is C#CC(C)(O)C1CCCCC1.
What is the InChIKey of 2-cyclohexylbut-3-yn-2-ol?
The InChIKey is QHMLEMNWJBMRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,9,11H,4-8H2,2H3.
What are the key properties of 2-cyclohexylbut-3-yn-2-ol?
2-cyclohexylbut-3-yn-2-ol has a molecular weight of 152.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylbut-3-yn-2-ol is sourced from PubChem (CID 11182706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).