3-methyl-1,5-dioxacyclopentadecane-6,15-dione

• ChemBase ID: 184272
• Molecular Formular: C14H24O4
• Molecular Mass: 256.33796
• Monoisotopic Mass: 256.16745925
• SMILES: C1(=O)OCC(COC(=O)CCCCCCCC1)C
• Canonical SMILES: CC1COC(=O)CCCCCCCCC(=O)OC1
• InChI: InChI=1S/C14H24O4/c1-12-10-17-13(15)8-6-4-2-3-5-7-9-14(16)18-11-12/h12H,2-11H2,1H3
• InChIKey: LMGYIFXLVIGMHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-1,5-dioxacyclopentadecane-6,15-dione
• IUPAC Traditional name: 3-methyl-1,5-dioxacyclopentadecane-6,15-dione

Database IDs

• PubChem SID: 164240182
• PubChem CID: 2859639

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9284754
• LogD (pH = 7.4): 2.9284754
• Log P: 2.9284754
• Molar Refractivity: 67.994 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