2-(2,6,6-trimethylcyclohexen-1-yl)ethanol

C11H20O — CID 592706

IUPAC2-(2,6,6-trimethylcyclohexen-1-yl)ethanol
SMILESCC1=C(CCO)C(C)(C)CCC1
InChIInChI=1S/C11H20O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h12H,4-8H2,1-3H3
InChIKeyJGJFZOVBBGQGOM-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.90
Rot. Bonds2

About 2-(2,6,6-trimethylcyclohexen-1-yl)ethanol

2-(2,6,6-trimethylcyclohexen-1-yl)ethanol (PubChem CID 592706) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(2,6,6-trimethylcyclohexen-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,6,6-trimethylcyclohexen-1-yl)ethanol
PubChem CID592706
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-(2,6,6-trimethylcyclohexen-1-yl)ethanol
SMILESCC1=C(CCO)C(C)(C)CCC1
InChIInChI=1S/C11H20O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h12H,4-8H2,1-3H3
InChIKeyJGJFZOVBBGQGOM-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,6,6-trimethylcyclohexen-1-yl)ethanol 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-(2,6,6-trimethylcyclohexen-1-yl)ethanol?
The IUPAC name of 2-(2,6,6-trimethylcyclohexen-1-yl)ethanol (CID 592706) is 2-(2,6,6-trimethylcyclohexen-1-yl)ethanol.
What is the SMILES notation for 2-(2,6,6-trimethylcyclohexen-1-yl)ethanol?
The canonical SMILES for 2-(2,6,6-trimethylcyclohexen-1-yl)ethanol is CC1=C(CCO)C(C)(C)CCC1.
What is the InChIKey of 2-(2,6,6-trimethylcyclohexen-1-yl)ethanol?
The InChIKey is JGJFZOVBBGQGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h12H,4-8H2,1-3H3.
What are the key properties of 2-(2,6,6-trimethylcyclohexen-1-yl)ethanol?
2-(2,6,6-trimethylcyclohexen-1-yl)ethanol has a molecular weight of 168.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6,6-trimethylcyclohexen-1-yl)ethanol is sourced from PubChem (CID 592706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).