1-(2-methylbut-3-enyl)cyclohexan-1-ol

C11H20O — CID 11062805

IUPAC1-(2-methylbut-3-enyl)cyclohexan-1-ol
SMILESC=CC(C)CC1(O)CCCCC1
InChIInChI=1S/C11H20O/c1-3-10(2)9-11(12)7-5-4-6-8-11/h3,10,12H,1,4-9H2,2H3
InChIKeyCAXMBTAMKZCBMJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds3

About 1-(2-methylbut-3-enyl)cyclohexan-1-ol

1-(2-methylbut-3-enyl)cyclohexan-1-ol (PubChem CID 11062805) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(2-methylbut-3-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-methylbut-3-enyl)cyclohexan-1-ol
PubChem CID11062805
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-(2-methylbut-3-enyl)cyclohexan-1-ol
SMILESC=CC(C)CC1(O)CCCCC1
InChIInChI=1S/C11H20O/c1-3-10(2)9-11(12)7-5-4-6-8-11/h3,10,12H,1,4-9H2,2H3
InChIKeyCAXMBTAMKZCBMJ-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-methylbut-3-enyl)cyclohexan-1-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 1-(2-methylbut-3-enyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-methylbut-3-enyl)cyclohexan-1-ol (CID 11062805) is 1-(2-methylbut-3-enyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-methylbut-3-enyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-methylbut-3-enyl)cyclohexan-1-ol is C=CC(C)CC1(O)CCCCC1.
What is the InChIKey of 1-(2-methylbut-3-enyl)cyclohexan-1-ol?
The InChIKey is CAXMBTAMKZCBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-10(2)9-11(12)7-5-4-6-8-11/h3,10,12H,1,4-9H2,2H3.
What are the key properties of 1-(2-methylbut-3-enyl)cyclohexan-1-ol?
1-(2-methylbut-3-enyl)cyclohexan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbut-3-enyl)cyclohexan-1-ol is sourced from PubChem (CID 11062805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).