2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol

C9H14O2 — CID 18622236

IUPAC2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol
SMILESCC1(O)C2C=CC(C2)C1(C)O
InChIInChI=1S/C9H14O2/c1-8(10)6-3-4-7(5-6)9(8,2)11/h3-4,6-7,10-11H,5H2,1-2H3
InChIKeyQJZRUGIZAAZSQT-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.69
Rot. Bonds

About 2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol

2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol (PubChem CID 18622236) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol.

Molecular Properties

Compound Name2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol
PubChem CID18622236
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol
SMILESCC1(O)C2C=CC(C2)C1(C)O
InChIInChI=1S/C9H14O2/c1-8(10)6-3-4-7(5-6)9(8,2)11/h3-4,6-7,10-11H,5H2,1-2H3
InChIKeyQJZRUGIZAAZSQT-UHFFFAOYSA-N
XLogP0.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.69
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 2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol?
The IUPAC name of 2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol (CID 18622236) is 2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol.
What is the SMILES notation for 2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol?
The canonical SMILES for 2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol is CC1(O)C2C=CC(C2)C1(C)O.
What is the InChIKey of 2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol?
The InChIKey is QJZRUGIZAAZSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-8(10)6-3-4-7(5-6)9(8,2)11/h3-4,6-7,10-11H,5H2,1-2H3.
What are the key properties of 2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol?
2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol has a molecular weight of 154.21 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbicyclo[2.2.1]hept-5-ene-2,3-diol is sourced from PubChem (CID 18622236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).