8-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-4,8-dimethyl-3,9-dioxatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene

• ChemBase ID: 184981
• Molecular Formular: C25H36O2
• Molecular Mass: 368.55214
• Monoisotopic Mass: 368.27153039
• SMILES: C12C(C(Oc3c1cccc3)(CC/C=C(/CCC=C(C)C)\C)C)CCC(O2)C
• Canonical SMILES: CC1CCC2C(O1)c1ccccc1OC2(C)CC/C=C(/CCC=C(C)C)\C
• InChI: InChI=1S/C25H36O2/c1-18(2)10-8-11-19(3)12-9-17-25(5)22-16-15-20(4)26-24(22)21-13-6-7-14-23(21)27-25/h6-7,10,12-14,20,22,24H,8-9,11,15-17H2,1-5H3/b19-12+
• InChIKey: KPIXKDQLMOSNMI-XDHOZWIPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-4,8-dimethyl-3,9-dioxatricyclo[8.4.0.0^2,^7]tetradeca-1(10),11,13-triene
• IUPAC Traditional name: 8-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-4,8-dimethyl-3,9-dioxatricyclo[8.4.0.0^2,^7]tetradeca-1(10),11,13-triene

Database IDs

• PubChem SID: 164240891
• PubChem CID: 6037150

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.6010213
• LogD (pH = 7.4): 6.6010213
• Log P: 6.6010213
• Molar Refractivity: 114.9447 cm^3
• Polarizability: 44.792194 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

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