4-ethenyl-4,8-dimethyl-8-(4-methylpent-3-en-1-yl)-3,9-dioxatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene

• ChemBase ID: 182736
• Molecular Formular: C22H30O2
• Molecular Mass: 326.4724
• Monoisotopic Mass: 326.2245802
• SMILES: C12C(C(Oc3c1cccc3)(CCC=C(C)C)C)CCC(O2)(C=C)C
• Canonical SMILES: C=CC1(C)CCC2C(O1)c1ccccc1OC2(C)CCC=C(C)C
• InChI: InChI=1S/C22H30O2/c1-6-21(4)15-13-18-20(24-21)17-11-7-8-12-19(17)23-22(18,5)14-9-10-16(2)3/h6-8,10-12,18,20H,1,9,13-15H2,2-5H3
• InChIKey: LXELBISQABCQRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164238646
• PubChem CID: 3098038

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.596326
• LogD (pH = 7.4): 5.596326
• Log P: 5.596326
• Molar Refractivity: 100.1944 cm^3
• Polarizability: 39.25358 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds