11-methyl-3-[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-9-(4-methylpent-3-en-1-yl)-2,4-dioxaspiro[5.5]undec-8-ene

• ChemBase ID: 182793
• Molecular Formular: C29H46O2
• Molecular Mass: 426.67434
• Monoisotopic Mass: 426.34978071
• SMILES: [C@]12(C(CC(=CC2)CCC=C(C)C)C)COC(OC1)C1C(CC(=CC1)CCC=C(C)C)C
• Canonical SMILES: CC(=CCCC1=CCC(C(C1)C)C1OC[C@]2(CO1)CC=C(CC2C)CCC=C(C)C)C
• InChI: InChI=1S/C29H46O2/c1-21(2)9-7-11-25-13-14-27(23(5)17-25)28-30-19-29(20-31-28)16-15-26(18-24(29)6)12-8-10-22(3)4/h9-10,13,15,23-24,27-28H,7-8,11-12,14,16-20H2,1-6H3/t23?,24?,27?,28?,29-
• InChIKey: MFGNVTISQZYJEE-LJUCYASHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-methyl-3-[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-9-(4-methylpent-3-en-1-yl)-2,4-dioxaspiro[5.5]undec-8-ene
• IUPAC Traditional name: 11-methyl-3-[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]-9-(4-methylpent-3-en-1-yl)-2,4-dioxaspiro[5.5]undec-8-ene

Database IDs

• PubChem SID: 164238703
• PubChem CID: 4398809

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.7898207
• LogD (pH = 7.4): 7.7898207
• Log P: 7.7898207
• Molar Refractivity: 135.7499 cm^3
• Polarizability: 52.437405 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds