2-(cyclohexen-1-yl)butan-2-ol

C10H18O — CID 10125081

IUPAC2-(cyclohexen-1-yl)butan-2-ol
SMILESCCC(C)(O)C1=CCCCC1
InChIInChI=1S/C10H18O/c1-3-10(2,11)9-7-5-4-6-8-9/h7,11H,3-6,8H2,1-2H3
InChIKeyIDPSEGMKUXUVJZ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.65
Rot. Bonds2

About 2-(cyclohexen-1-yl)butan-2-ol

2-(cyclohexen-1-yl)butan-2-ol (PubChem CID 10125081) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)butan-2-ol
PubChem CID10125081
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-(cyclohexen-1-yl)butan-2-ol
SMILESCCC(C)(O)C1=CCCCC1
InChIInChI=1S/C10H18O/c1-3-10(2,11)9-7-5-4-6-8-9/h7,11H,3-6,8H2,1-2H3
InChIKeyIDPSEGMKUXUVJZ-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)butan-2-ol?
The IUPAC name of 2-(cyclohexen-1-yl)butan-2-ol (CID 10125081) is 2-(cyclohexen-1-yl)butan-2-ol.
What is the SMILES notation for 2-(cyclohexen-1-yl)butan-2-ol?
The canonical SMILES for 2-(cyclohexen-1-yl)butan-2-ol is CCC(C)(O)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)butan-2-ol?
The InChIKey is IDPSEGMKUXUVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-10(2,11)9-7-5-4-6-8-9/h7,11H,3-6,8H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)butan-2-ol?
2-(cyclohexen-1-yl)butan-2-ol has a molecular weight of 154.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)butan-2-ol is sourced from PubChem (CID 10125081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).