1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol

C10H16O — CID 6617446

IUPAC1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol
SMILESCC(O)C1(C)CC2C=CC1C2
InChIInChI=1S/C10H16O/c1-7(11)10(2)6-8-3-4-9(10)5-8/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyXYYQQXRKGZCEJO-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds1

About 1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol

1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol (PubChem CID 6617446) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol.

Molecular Properties

Compound Name1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol
PubChem CID6617446
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol
SMILESCC(O)C1(C)CC2C=CC1C2
InChIInChI=1S/C10H16O/c1-7(11)10(2)6-8-3-4-9(10)5-8/h3-4,7-9,11H,5-6H2,1-2H3
InChIKeyXYYQQXRKGZCEJO-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.97
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 1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol?
The IUPAC name of 1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol (CID 6617446) is 1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol.
What is the SMILES notation for 1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol?
The canonical SMILES for 1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol is CC(O)C1(C)CC2C=CC1C2.
What is the InChIKey of 1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol?
The InChIKey is XYYQQXRKGZCEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7(11)10(2)6-8-3-4-9(10)5-8/h3-4,7-9,11H,5-6H2,1-2H3.
What are the key properties of 1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol?
1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol has a molecular weight of 152.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanol is sourced from PubChem (CID 6617446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).