2-methylbicyclo[2.2.1]hept-5-en-2-ol

C8H12O — CID 548695

IUPAC2-methylbicyclo[2.2.1]hept-5-en-2-ol
SMILESCC1(O)CC2C=CC1C2
InChIInChI=1S/C8H12O/c1-8(9)5-6-2-3-7(8)4-6/h2-3,6-7,9H,4-5H2,1H3
InChIKeyZAVRBAGOQPJLCD-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.33
Rot. Bonds

About 2-methylbicyclo[2.2.1]hept-5-en-2-ol

2-methylbicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 548695) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-methylbicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name2-methylbicyclo[2.2.1]hept-5-en-2-ol
PubChem CID548695
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-methylbicyclo[2.2.1]hept-5-en-2-ol
SMILESCC1(O)CC2C=CC1C2
InChIInChI=1S/C8H12O/c1-8(9)5-6-2-3-7(8)4-6/h2-3,6-7,9H,4-5H2,1H3
InChIKeyZAVRBAGOQPJLCD-UHFFFAOYSA-N
XLogP1.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.33
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-methylbicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 2-methylbicyclo[2.2.1]hept-5-en-2-ol (CID 548695) is 2-methylbicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 2-methylbicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 2-methylbicyclo[2.2.1]hept-5-en-2-ol is CC1(O)CC2C=CC1C2.
What is the InChIKey of 2-methylbicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is ZAVRBAGOQPJLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-8(9)5-6-2-3-7(8)4-6/h2-3,6-7,9H,4-5H2,1H3.
What are the key properties of 2-methylbicyclo[2.2.1]hept-5-en-2-ol?
2-methylbicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 124.18 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 548695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).