(1R,5R)-6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene

• ChemBase ID: 185310
• Molecular Formular: C16H24O
• Molecular Mass: 232.36116
• Monoisotopic Mass: 232.18271539
• SMILES: [C@@H]12C(OC[C@H](C2)CC=C1C)C1CC=C(CC1)C
• Canonical SMILES: CC1=CCC(CC1)C1OC[C@@H]2C[C@H]1C(=CC2)C
• InChI: InChI=1S/C16H24O/c1-11-3-7-14(8-4-11)16-15-9-13(10-17-16)6-5-12(15)2/h3,5,13-16H,4,6-10H2,1-2H3/t13-,14?,15-,16?/m1/s1
• InChIKey: NFUGWSRCZPQFDC-YHNBSYBMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5R)-6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene
• IUPAC Traditional name: (1R,5R)-6-methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene

Database IDs

• PubChem SID: 164241220
• PubChem CID: 16396250

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6226335
• LogD (pH = 7.4): 3.6226335
• Log P: 3.6226335
• Molar Refractivity: 73.1089 cm^3
• Polarizability: 28.248886 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