Chemical Properties of (S)-8,8-Dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano(3,2-g)chromen-7-yl 3-methyl-2-butenoate (CAS 5928-25-6)

InChI

InChI=1S/C19H20O5/c1-11(2)7-18(21)23-16-9-13-8-12-5-6-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3

InChI Key

CUKSFECWKQBVED-UHFFFAOYSA-N

Formula

C19H20O5

SMILES

CC(C)=CC(=O)OC1Cc2cc3ccc(=O)oc3cc2OC1(C)C

Molecular Weight¹

328.36

CAS

5928-25-6

Other Names

• 8,8-Dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-7-yl 3-methyl-2-butenoate-, (S)-
• Decursin

• 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	-9.12		Crippen Calculated Property
logPoct/wat	3.384		Crippen Calculated Property
McVol	245.240	ml/mol	McGowan Calculated Property
Inp	[2792.00; 2792.00]
Inp	2792.00		NIST
Inp	2792.00		NIST
Inp	2792.00		NIST

Similar Compounds

Find more compounds similar to (S)-8,8-Dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano(3,2-g)chromen-7-yl 3-methyl-2-butenoate.

Sources

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

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