12,15,15-trimethyl-10,14-dioxatetracyclo[9.8.0.02,8.013,18]nonadeca-1(19),2(8),11,13(18)-tetraen-9-one

• ChemBase ID: 201363
• Molecular Formular: C20H24O3
• Molecular Mass: 312.40276
• Monoisotopic Mass: 312.17254463
• SMILES: c12c(c3c(c(=O)o1)CCCCC3)cc1c(c2C)OC(CC1)(C)C
• Canonical SMILES: Cc1c2OC(C)(C)CCc2cc2c1oc(=O)c1c2CCCCC1
• InChI: InChI=1S/C20H24O3/c1-12-17-13(9-10-20(2,3)23-17)11-16-14-7-5-4-6-8-15(14)19(21)22-18(12)16/h11H,4-10H2,1-3H3
• InChIKey: HHZWLIVUMJCFEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 12,15,15-trimethyl-10,14-dioxatetracyclo[9.8.0.0^2,^8.0^1^3,^1^8]nonadeca-1(19),2(8),11,13(18)-tetraen-9-one
• IUPAC Traditional name: 12,15,15-trimethyl-10,14-dioxatetracyclo[9.8.0.0^2,^8.0^1^3,^1^8]nonadeca-1(19),2(8),11,13(18)-tetraen-9-one

Database IDs

• PubChem SID: 164257273
• PubChem CID: 908809

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.885644
• LogD (pH = 7.4): 4.885644
• Log P: 4.885644
• Molar Refractivity: 90.6605 cm^3
• Polarizability: 35.017677 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds