(1R)-4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene

• ChemBase ID: 181225
• Molecular Formular: C18H28O
• Molecular Mass: 260.41432
• Monoisotopic Mass: 260.21401552
• SMILES: C12C(OC[C@H](C2)C(C=C1C)C)C1C(CC(=CC1)C)C
• Canonical SMILES: CC1=CCC(C(C1)C)C1OC[C@@H]2CC1C(=CC2C)C
• InChI: InChI=1S/C18H28O/c1-11-5-6-16(13(3)7-11)18-17-9-15(10-19-18)12(2)8-14(17)4/h5,8,12-13,15-18H,6-7,9-10H2,1-4H3/t12?,13?,15-,16?,17?,18?/m0/s1
• InChIKey: WBKMHGSGQSVCJQ-IBJYDOPYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene
• IUPAC Traditional name: (1R)-4-(4,6-dimethylcyclohex-3-en-1-yl)-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-ene

Database IDs

• PubChem SID: 164237135
• PubChem CID: 16395156

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.196672
• LogD (pH = 7.4): 4.196672
• Log P: 4.196672
• Molar Refractivity: 82.2061 cm^3
• Polarizability: 31.941336 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Derivatives & analogs of Natural Compounds