4,8,8-trimethyl-3,9-dioxatricyclo[8.4.0.02,7]tetradeca-1(10),11,13-triene

• ChemBase ID: 119572
• Molecular Formular: C15H20O2
• Molecular Mass: 232.3181
• Monoisotopic Mass: 232.14632988
• SMILES: C12C(C(Oc3c1cccc3)(C)C)CCC(O2)C
• Canonical SMILES: CC1CCC2C(O1)c1ccccc1OC2(C)C
• InChI: InChI=1S/C15H20O2/c1-10-8-9-12-14(16-10)11-6-4-5-7-13(11)17-15(12,2)3/h4-7,10,12,14H,8-9H2,1-3H3
• InChIKey: QTLDMKVNVOUSIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,8,8-trimethyl-3,9-dioxatricyclo[8.4.0.0^2,^7]tetradeca-1(10),11,13-triene
• IUPAC Traditional name: 4,8,8-trimethyl-3,9-dioxatricyclo[8.4.0.0^2,^7]tetradeca-1(10),11,13-triene
• Synonyms: 2,5,5-trimethyl-2,3,4,4a,5,10b-hexahydropyrano[3,2-c]chromene

Database IDs

• PubChem SID: 162107834
• PubChem CID: 2832844

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2036393
• LogD (pH = 7.4): 3.2036393
• Log P: 3.2036393
• Molar Refractivity: 67.4165 cm^3
• Polarizability: 26.81003 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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