4-(cyclohexen-1-yl)-2-methylbutan-2-ol

C11H20O — CID 101379460

IUPAC4-(cyclohexen-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCC1=CCCCC1
InChIInChI=1S/C11H20O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h6,12H,3-5,7-9H2,1-2H3
InChIKeyXWYRSYMNBGYEHO-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.04
Rot. Bonds3

About 4-(cyclohexen-1-yl)-2-methylbutan-2-ol

4-(cyclohexen-1-yl)-2-methylbutan-2-ol (PubChem CID 101379460) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-2-methylbutan-2-ol
PubChem CID101379460
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-(cyclohexen-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCC1=CCCCC1
InChIInChI=1S/C11H20O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h6,12H,3-5,7-9H2,1-2H3
InChIKeyXWYRSYMNBGYEHO-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.04
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 4-(cyclohexen-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(cyclohexen-1-yl)-2-methylbutan-2-ol (CID 101379460) is 4-(cyclohexen-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(cyclohexen-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(cyclohexen-1-yl)-2-methylbutan-2-ol is CC(C)(O)CCC1=CCCCC1.
What is the InChIKey of 4-(cyclohexen-1-yl)-2-methylbutan-2-ol?
The InChIKey is XWYRSYMNBGYEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h6,12H,3-5,7-9H2,1-2H3.
What are the key properties of 4-(cyclohexen-1-yl)-2-methylbutan-2-ol?
4-(cyclohexen-1-yl)-2-methylbutan-2-ol has a molecular weight of 168.28 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 101379460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).