1,4-dioxacyclopentadecan-5-one

• ChemBase ID: 119343
• Molecular Formular: C13H24O3
• Molecular Mass: 228.32786
• Monoisotopic Mass: 228.17254463
• SMILES: C1(=O)OCCOCCCCCCCCCC1
• Canonical SMILES: O=C1CCCCCCCCCCOCCO1
• InChI: InChI=1S/C13H24O3/c14-13-9-7-5-3-1-2-4-6-8-10-15-11-12-16-13/h1-12H2
• InChIKey: YEBHGHOBBXQRCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dioxacyclopentadecan-5-one
• IUPAC Traditional name: 1,4-dioxacyclopentadecan-5-one
• Synonyms: 1,4-dioxacyclopentadecan-5-one

Database IDs

• PubChem SID: 162107863
• PubChem CID: 3094322

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2145565
• LogD (pH = 7.4): 3.2145565
• Log P: 3.2145565
• Molar Refractivity: 63.5586 cm^3
• Polarizability: 25.403522 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