9,11,13-trimethyl-6,15-dioxadispiro[4.2.58.25]pentadec-10-ene

• ChemBase ID: 183105
• Molecular Formular: C16H26O2
• Molecular Mass: 250.37644
• Monoisotopic Mass: 250.19328007
• SMILES: C12(C(C=C(CC1C)C)C)COC1(OC2)CCCC1
• Canonical SMILES: CC1=CC(C2(C(C1)C)COC1(OC2)CCCC1)C
• InChI: InChI=1S/C16H26O2/c1-12-8-13(2)15(14(3)9-12)10-17-16(18-11-15)6-4-5-7-16/h8,13-14H,4-7,9-11H2,1-3H3
• InChIKey: CVRCHHRUSASDOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,11,13-trimethyl-6,15-dioxadispiro[4.2.5^8.2^5]pentadec-10-ene
• IUPAC Traditional name: 9,11,13-trimethyl-6,15-dioxadispiro[4.2.5^8.2^5]pentadec-10-ene

Database IDs

• PubChem SID: 164239015
• PubChem CID: 2855764

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6608586
• LogD (pH = 7.4): 3.6608586
• Log P: 3.6608586
• Molar Refractivity: 74.0173 cm^3
• Polarizability: 29.156656 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds