9-phenyl-8-oxatricyclo[8.4.0.02,7]tetradec-1(14)-ene

• ChemBase ID: 180798
• Molecular Formular: C19H24O
• Molecular Mass: 268.39326
• Monoisotopic Mass: 268.18271539
• SMILES: C12=CCCCC1C(OC1C2CCCC1)c1ccccc1
• Canonical SMILES: C1CC=C2C(C1)C(OC1C2CCCC1)c1ccccc1
• InChI: InChI=1S/C19H24O/c1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18(16)20-19/h1-3,8-10,16-19H,4-7,11-13H2
• InChIKey: LPIUFHIVFBMKNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-phenyl-8-oxatricyclo[8.4.0.0^2,^7]tetradec-1(14)-ene
• IUPAC Traditional name: 9-phenyl-8-oxatricyclo[8.4.0.0^2,^7]tetradec-1(14)-ene

Database IDs

• PubChem SID: 164236708
• PubChem CID: 3654625

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.715893
• LogD (pH = 7.4): 4.715893
• Log P: 4.715893
• Molar Refractivity: 82.9205 cm^3
• Polarizability: 32.571808 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: 2 Stereoisomers
• Classification: Rare Derivatives of Natural Compounds