6,7-dimethyl-4-oxatricyclo[4.3.0.0^{3,7}]nonane

• ChemBase ID: 82028
• Molecular Formular: C10H16O
• Molecular Mass: 152.23344
• Monoisotopic Mass: 152.12011513
• SMILES: O1CC2(C3(C1CC2CC3)C)C
• Canonical SMILES: CC12CCC3C2(C)COC1C3
• InChI: InChI=1S/C10H16O/c1-9-4-3-7-5-8(9)11-6-10(7,9)2/h7-8H,3-6H2,1-2H3
• InChIKey: YYHDKTIFENWCAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethyl-4-oxatricyclo[4.3.0.0^{3,7}]nonane
• IUPAC Traditional name: 6,7-dimethyl-4-oxatricyclo[4.3.0.0^{3,7}]nonane
• Synonyms: 6,7-dimethyl-4-oxatricyclo[4.3.0.0~3,7~]nonane

Database IDs

• MDL Number: MFCD00583086
• PubChem SID: 162069147
• PubChem CID: 2778026

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8703903
• LogD (pH = 7.4): 1.8703903
• Log P: 1.8703903
• Molar Refractivity: 43.5789 cm^3
• Polarizability: 17.653168 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true