Chemical Properties of Nootkatin (CAS 4431-03-2)

InChI

InChI=1S/C15H20O2/c1-10(2)5-6-12-7-8-14(16)15(17)9-13(12)11(3)4/h5,7-9,11H,6H2,1-4H3,(H,16,17)

InChI Key

MNMNTZYOZZLKSV-UHFFFAOYSA-N

Formula

C15H20O2

SMILES

CC(C)=CCc1ccc(O)c(=O)cc1C(C)C

Molecular Weight¹

232.32

CAS

4431-03-2

• 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	-3.54		Crippen Calculated Property
logPoct/wat	3.384		Crippen Calculated Property
McVol	201.590	ml/mol	McGowan Calculated Property
Inp	[1961.00; 1961.00]
Inp	1961.00		NIST
Inp	1961.00		NIST

Similar Compounds

Find more compounds similar to Nootkatin.

Sources

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

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