5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene

C8H12O — CID 20632815

IUPAC5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCC1C2C=CC(O2)C1C
InChIInChI=1S/C8H12O/c1-5-6(2)8-4-3-7(5)9-8/h3-8H,1-2H3
InChIKeyAOGYUSNAUMJSIU-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.60
Rot. Bonds

About 5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene

5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 20632815) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID20632815
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCC1C2C=CC(O2)C1C
InChIInChI=1S/C8H12O/c1-5-6(2)8-4-3-7(5)9-8/h3-8H,1-2H3
InChIKeyAOGYUSNAUMJSIU-UHFFFAOYSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
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 5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene (CID 20632815) is 5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene is CC1C2C=CC(O2)C1C.
What is the InChIKey of 5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is AOGYUSNAUMJSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-5-6(2)8-4-3-7(5)9-8/h3-8H,1-2H3.
What are the key properties of 5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene?
5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 124.18 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 20632815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).