1,8-dioxacyclooctadecane-9,18-dione

• ChemBase ID: 184036
• Molecular Formular: C16H28O4
• Molecular Mass: 284.39112
• Monoisotopic Mass: 284.19875938
• SMILES: C1(=O)OCCCCCCOC(=O)CCCCCCCC1
• Canonical SMILES: O=C1CCCCCCCCC(=O)OCCCCCCO1
• InChI: InChI=1S/C16H28O4/c17-15-11-7-3-1-2-4-8-12-16(18)20-14-10-6-5-9-13-19-15/h1-14H2
• InChIKey: SXWPIGKEISLSNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,8-dioxacyclooctadecane-9,18-dione
• IUPAC Traditional name: 1,8-dioxacyclooctadecane-9,18-dione

Database IDs

• PubChem SID: 164239946
• PubChem CID: 2858575

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8556519
• LogD (pH = 7.4): 3.8556519
• Log P: 3.8556519
• Molar Refractivity: 77.4242 cm^3
• Polarizability: 31.009491 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