Chemical Properties of 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one (CAS 50464-95-4)

InChI

InChI=1S/C13H20O2/c1-10(14)6-5-9-13(3,4)12-8-7-11(2)15-12/h7-8H,5-6,9H2,1-4H3

InChI Key

CQPPRTJQWXGAGK-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

CC(=O)CCCC(C)(C)c1ccc(C)o1

Molecular Weight¹

208.30

CAS

50464-95-4

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-7.95		Crippen Calculated Property
logPoct/wat	3.625		Crippen Calculated Property
McVol	182.010	ml/mol	McGowan Calculated Property
Inp	[1426.00; 1439.00]
Inp	1426.00		NIST
Inp	1439.00		NIST
Inp	1426.00		NIST

Similar Compounds

Find more compounds similar to 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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