(1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane

• ChemBase ID: 183580
• Molecular Formular: C11H18O
• Molecular Mass: 166.26002
• Monoisotopic Mass: 166.1357652
• SMILES: C1(=C)[C@@H]2C[C@H](C(C1)C)COC2C
• Canonical SMILES: CC1CC(=C)[C@@H]2C[C@H]1COC2C
• InChI: InChI=1S/C11H18O/c1-7-4-8(2)11-5-10(7)6-12-9(11)3/h7,9-11H,2,4-6H2,1,3H3
• InChIKey: CHLVZIDTMFMLMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane
• IUPAC Traditional name: (1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane

Database IDs

• PubChem SID: 164239490
• PubChem CID: 42648527

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3286715
• LogD (pH = 7.4): 2.3286715
• Log P: 2.3286715
• Molar Refractivity: 50.19 cm^3
• Polarizability: 19.993267 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Stereoisomers
• Classification: Rare Derivatives of Natural Compounds