7,9,11-trimethyl-3-pentyl-2,4-dioxaspiro[5.5]undec-8-ene

• ChemBase ID: 182181
• Molecular Formular: C17H30O2
• Molecular Mass: 266.4189
• Monoisotopic Mass: 266.2245802
• SMILES: C12(C(C=C(CC1C)C)C)COC(OC2)CCCCC
• Canonical SMILES: CCCCCC1OCC2(CO1)C(C)CC(=CC2C)C
• InChI: InChI=1S/C17H30O2/c1-5-6-7-8-16-18-11-17(12-19-16)14(3)9-13(2)10-15(17)4/h9,14-16H,5-8,10-12H2,1-4H3
• InChIKey: FUISBEMCOIUUEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,9,11-trimethyl-3-pentyl-2,4-dioxaspiro[5.5]undec-8-ene
• IUPAC Traditional name: 7,9,11-trimethyl-3-pentyl-2,4-dioxaspiro[5.5]undec-8-ene

Database IDs

• PubChem SID: 164238091
• PubChem CID: 3839279

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5733547
• LogD (pH = 7.4): 4.5733547
• Log P: 4.5733547
• Molar Refractivity: 80.1319 cm^3
• Polarizability: 31.73402 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds