1,6-dioxacyclohexadecane-7,16-dione

• ChemBase ID: 183644
• Molecular Formular: C14H24O4
• Molecular Mass: 256.33796
• Monoisotopic Mass: 256.16745925
• SMILES: C1(=O)OCCCCOC(=O)CCCCCCCC1
• Canonical SMILES: O=C1CCCCCCCCC(=O)OCCCCO1
• InChI: InChI=1S/C14H24O4/c15-13-9-5-3-1-2-4-6-10-14(16)18-12-8-7-11-17-13/h1-12H2
• InChIKey: AMCTYGGTIWUNMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,6-dioxacyclohexadecane-7,16-dione
• IUPAC Traditional name: 1,6-dioxacyclohexadecane-7,16-dione

Database IDs

• PubChem SID: 164239554
• PubChem CID: 94013

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9665146
• LogD (pH = 7.4): 2.9665146
• Log P: 2.9665146
• Molar Refractivity: 68.2222 cm^3
• Polarizability: 27.336819 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds