2-bicyclo[2.2.1]hept-5-enylmethanediol

C8H12O2 — CID 69113323

IUPAC2-bicyclo[2.2.1]hept-5-enylmethanediol
SMILESOC(O)C1CC2C=CC1C2
InChIInChI=1S/C8H12O2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-10H,3-4H2
InChIKeyKYGNRXDSQNZGAT-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.51
Rot. Bonds1

About 2-bicyclo[2.2.1]hept-5-enylmethanediol

2-bicyclo[2.2.1]hept-5-enylmethanediol (PubChem CID 69113323) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethanediol.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethanediol
PubChem CID69113323
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethanediol
SMILESOC(O)C1CC2C=CC1C2
InChIInChI=1S/C8H12O2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-10H,3-4H2
InChIKeyKYGNRXDSQNZGAT-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethanediol?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethanediol (CID 69113323) is 2-bicyclo[2.2.1]hept-5-enylmethanediol.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethanediol?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethanediol is OC(O)C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethanediol?
The InChIKey is KYGNRXDSQNZGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-10H,3-4H2.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethanediol?
2-bicyclo[2.2.1]hept-5-enylmethanediol has a molecular weight of 140.18 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethanediol is sourced from PubChem (CID 69113323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).