Chemical Properties of Curzerenone (CAS 20493-56-5)

InChI

InChI=1S/C15H20O2/c1-6-15(5)7-11-12(10(4)8-17-11)14(16)13(15)9(2)3/h8,13H,2,6-7H2,1,3-5H3/t13-,15-/m1/s1

InChI Key

KTDQZLJOUMVWTK-UKRRQHHQSA-N

Formula

C15H18O2

SMILES

C=C(C)C1C(=O)c2c(C)coc2CC1(C)CC

Molecular Weight¹

230.30

CAS

20493-56-5

• 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.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-8.92		Crippen Calculated Property
logPoct/wat	3.935		Crippen Calculated Property
McVol	195.030	ml/mol	McGowan Calculated Property
Inp	[1568.00; 1610.00]
Inp	1574.00		NIST
Inp	1576.00		NIST
Inp	1595.50		NIST
Inp	1609.60		NIST
Inp	1590.00		NIST
Inp	1610.00		NIST
Inp	1568.00		NIST
Inp	1599.00		NIST
I	[2240.00; 2278.00]
I	2278.00		NIST
I	2240.00		NIST
I	2240.00		NIST

Similar Compounds

Find more compounds similar to Curzerenone.

Sources

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

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