1-cyclobutyl-4-methylcyclohex-2-en-1-ol

C11H18O — CID 165497778

IUPAC1-cyclobutyl-4-methylcyclohex-2-en-1-ol
SMILESCC1C=CC(O)(C2CCC2)CC1
InChIInChI=1S/C11H18O/c1-9-5-7-11(12,8-6-9)10-3-2-4-10/h5,7,9-10,12H,2-4,6,8H2,1H3
InChIKeyFQVISXJJHAAIAH-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.50
Rot. Bonds1

About 1-cyclobutyl-4-methylcyclohex-2-en-1-ol

1-cyclobutyl-4-methylcyclohex-2-en-1-ol (PubChem CID 165497778) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-cyclobutyl-4-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-cyclobutyl-4-methylcyclohex-2-en-1-ol
PubChem CID165497778
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-cyclobutyl-4-methylcyclohex-2-en-1-ol
SMILESCC1C=CC(O)(C2CCC2)CC1
InChIInChI=1S/C11H18O/c1-9-5-7-11(12,8-6-9)10-3-2-4-10/h5,7,9-10,12H,2-4,6,8H2,1H3
InChIKeyFQVISXJJHAAIAH-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-methylcyclohex-2-en-1-ol?
The IUPAC name of 1-cyclobutyl-4-methylcyclohex-2-en-1-ol (CID 165497778) is 1-cyclobutyl-4-methylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-cyclobutyl-4-methylcyclohex-2-en-1-ol?
The canonical SMILES for 1-cyclobutyl-4-methylcyclohex-2-en-1-ol is CC1C=CC(O)(C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-4-methylcyclohex-2-en-1-ol?
The InChIKey is FQVISXJJHAAIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9-5-7-11(12,8-6-9)10-3-2-4-10/h5,7,9-10,12H,2-4,6,8H2,1H3.
What are the key properties of 1-cyclobutyl-4-methylcyclohex-2-en-1-ol?
1-cyclobutyl-4-methylcyclohex-2-en-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 165497778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).