2-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)ethanol

C10H16O — CID 66757195

IUPAC2-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)ethanol
SMILESCC1=C(CCO)C2CCC1C2
InChIInChI=1S/C10H16O/c1-7-8-2-3-9(6-8)10(7)4-5-11/h8-9,11H,2-6H2,1H3
InChIKeyTXCWACMZQYSTAC-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.12
Rot. Bonds2

About 2-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)ethanol

2-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)ethanol (PubChem CID 66757195) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)ethanol.

Molecular Properties

Compound Name2-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)ethanol
PubChem CID66757195
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)ethanol
SMILESCC1=C(CCO)C2CCC1C2
InChIInChI=1S/C10H16O/c1-7-8-2-3-9(6-8)10(7)4-5-11/h8-9,11H,2-6H2,1H3
InChIKeyTXCWACMZQYSTAC-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.12
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-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)ethanol?
The IUPAC name of 2-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)ethanol (CID 66757195) is 2-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)ethanol.
What is the SMILES notation for 2-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)ethanol?
The canonical SMILES for 2-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)ethanol is CC1=C(CCO)C2CCC1C2.
What is the InChIKey of 2-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)ethanol?
The InChIKey is TXCWACMZQYSTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7-8-2-3-9(6-8)10(7)4-5-11/h8-9,11H,2-6H2,1H3.
What are the key properties of 2-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)ethanol?
2-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)ethanol has a molecular weight of 152.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-bicyclo[2.2.1]hept-2-enyl)ethanol is sourced from PubChem (CID 66757195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).