2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol

C11H18O — CID 12704151

IUPAC2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol
SMILESCC1(C)C2C=C(CCO)CC1C2
InChIInChI=1S/C11H18O/c1-11(2)9-5-8(3-4-12)6-10(11)7-9/h5,9-10,12H,3-4,6-7H2,1-2H3
InChIKeyINGORVXUMWLHFR-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.36
Rot. Bonds2

About 2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol

2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol (PubChem CID 12704151) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol.

Molecular Properties

Compound Name2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol
PubChem CID12704151
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol
SMILESCC1(C)C2C=C(CCO)CC1C2
InChIInChI=1S/C11H18O/c1-11(2)9-5-8(3-4-12)6-10(11)7-9/h5,9-10,12H,3-4,6-7H2,1-2H3
InChIKeyINGORVXUMWLHFR-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.36
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 2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol?
The IUPAC name of 2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol (CID 12704151) is 2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol.
What is the SMILES notation for 2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol?
The canonical SMILES for 2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol is CC1(C)C2C=C(CCO)CC1C2.
What is the InChIKey of 2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol?
The InChIKey is INGORVXUMWLHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-11(2)9-5-8(3-4-12)6-10(11)7-9/h5,9-10,12H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol?
2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol has a molecular weight of 166.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethanol is sourced from PubChem (CID 12704151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).