1-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol

C8H12O2 — CID 69293509

IUPAC1-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESOCC12C=CC(CC1O)C2
InChIInChI=1S/C8H12O2/c9-5-8-2-1-6(4-8)3-7(8)10/h1-2,6-7,9-10H,3-5H2
InChIKeyWWPHYSRKWSMOLO-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.31
Rot. Bonds1

About 1-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol

1-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 69293509) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol
PubChem CID69293509
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESOCC12C=CC(CC1O)C2
InChIInChI=1S/C8H12O2/c9-5-8-2-1-6(4-8)3-7(8)10/h1-2,6-7,9-10H,3-5H2
InChIKeyWWPHYSRKWSMOLO-UHFFFAOYSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 1-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol (CID 69293509) is 1-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 1-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 1-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol is OCC12C=CC(CC1O)C2.
What is the InChIKey of 1-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is WWPHYSRKWSMOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-5-8-2-1-6(4-8)3-7(8)10/h1-2,6-7,9-10H,3-5H2.
What are the key properties of 1-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol?
1-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 140.18 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 69293509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).