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

• ChemBase ID: 180743
• Molecular Formular: C15H22O
• Molecular Mass: 218.33458
• Monoisotopic Mass: 218.16706532
• SMILES: C12=CCCCC1C(OC1C2CCCC1)C=C
• Canonical SMILES: C=CC1OC2CCCCC2C2=CCCCC12
• InChI: InChI=1S/C15H22O/c1-2-14-12-8-4-3-7-11(12)13-9-5-6-10-15(13)16-14/h2,7,12-15H,1,3-6,8-10H2
• InChIKey: MNWLUKWOQKIWCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164236653
• PubChem CID: 3108045

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7226694
• LogD (pH = 7.4): 3.7226694
• Log P: 3.7226694
• Molar Refractivity: 67.4706 cm^3
• Polarizability: 26.402824 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds