Chemical Properties of Ethanone, 1-[3-[2-methyl-2-(5-methyl-2-furanyl)propyl]oxiranyl]- (CAS 80114-28-9)

InChI

InChI=1S/C13H18O3/c1-8-5-6-11(15-8)13(3,4)7-10-12(16-10)9(2)14/h5-6,10,12H,7H2,1-4H3

InChI Key

NRYBNWWOESXFHO-UHFFFAOYSA-N

Formula

C13H18O3

SMILES

CC(=O)C1OC1CC(C)(C)c1ccc(C)o1

Molecular Weight¹

222.28

CAS

80114-28-9

Other Names

• 1-[3-[2-Methyl-2-[5-methyl-2-furanyl]propyl]oxiranyl]-ethanone

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	2.612		Crippen Calculated Property
McVol	177.020	ml/mol	McGowan Calculated Property
I	[1979.00; 1979.00]
I	1979.00		NIST
I	1979.00		NIST

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Similar Compounds

Find more compounds similar to Ethanone, 1-[3-[2-methyl-2-(5-methyl-2-furanyl)propyl]oxiranyl]-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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