1,7-dioxacycloheptadecane-8,17-dione

• ChemBase ID: 184478
• Molecular Formular: C15H26O4
• Molecular Mass: 270.36454
• Monoisotopic Mass: 270.18310931
• SMILES: C1(=O)OCCCCCOC(=O)CCCCCCCC1
• Canonical SMILES: O=C1CCCCCCCCC(=O)OCCCCCO1
• InChI: InChI=1S/C15H26O4/c16-14-10-6-3-1-2-4-7-11-15(17)19-13-9-5-8-12-18-14/h1-13H2
• InChIKey: LJEUDWSEILCUFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,7-dioxacycloheptadecane-8,17-dione
• IUPAC Traditional name: 1,7-dioxacycloheptadecane-8,17-dione

Database IDs

• PubChem SID: 164240388
• PubChem CID: 3771421

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4110832
• LogD (pH = 7.4): 3.4110832
• Log P: 3.4110832
• Molar Refractivity: 72.8232 cm^3
• Polarizability: 29.172577 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