2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol

C12H20O — CID 85287719

IUPAC2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol
SMILESC=CC1(C)CCCC(=C)C1CCO
InChIInChI=1S/C12H20O/c1-4-12(3)8-5-6-10(2)11(12)7-9-13/h4,11,13H,1-2,5-9H2,3H3
InChIKeyNCIGQFQWESYTLM-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.92
Rot. Bonds3

About 2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol

2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol (PubChem CID 85287719) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol
PubChem CID85287719
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol
SMILESC=CC1(C)CCCC(=C)C1CCO
InChIInChI=1S/C12H20O/c1-4-12(3)8-5-6-10(2)11(12)7-9-13/h4,11,13H,1-2,5-9H2,3H3
InChIKeyNCIGQFQWESYTLM-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)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-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol?
The IUPAC name of 2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol (CID 85287719) is 2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol.
What is the SMILES notation for 2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol?
The canonical SMILES for 2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol is C=CC1(C)CCCC(=C)C1CCO.
What is the InChIKey of 2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol?
The InChIKey is NCIGQFQWESYTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-4-12(3)8-5-6-10(2)11(12)7-9-13/h4,11,13H,1-2,5-9H2,3H3.
What are the key properties of 2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol?
2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol has a molecular weight of 180.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol is sourced from PubChem (CID 85287719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).