(9S,10R)-9-(prop-1-en-2-yl)-8-oxatricyclo[8.4.0.02,7]tetradec-1(14)-ene

• ChemBase ID: 185109
• Molecular Formular: C16H24O
• Molecular Mass: 232.36116
• Monoisotopic Mass: 232.18271539
• SMILES: C12=CCCC[C@H]1[C@H](OC1C2CCCC1)C(=C)C
• Canonical SMILES: CC(=C)[C@H]1OC2CCCCC2C2=CCCC[C@@H]12
• InChI: InChI=1S/C16H24O/c1-11(2)16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)17-16/h7,13-16H,1,3-6,8-10H2,2H3/t13?,14-,15?,16-/m1/s1
• InChIKey: SAWJHMOBEQAZRA-GYTBAZASSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9S,10R)-9-(prop-1-en-2-yl)-8-oxatricyclo[8.4.0.0^2,^7]tetradec-1(14)-ene
• IUPAC Traditional name: (9S,10R)-9-(prop-1-en-2-yl)-8-oxatricyclo[8.4.0.0^2,^7]tetradec-1(14)-ene

Database IDs

• PubChem SID: 164241019
• PubChem CID: 16396182

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9660306
• LogD (pH = 7.4): 3.9660306
• Log P: 3.9660306
• Molar Refractivity: 71.7526 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: Stereoisomers
• Classification: Derivatives & analogs of Natural Compounds