Chemical Properties of 4(5H)-Benzofuranone, 6,7-dihydro-3,6-dimethyl-, (R)- (CAS 529-63-5)

InChI

InChI=1S/C10H12O2/c1-6-3-8(11)10-7(2)5-12-9(10)4-6/h5-6H,3-4H2,1-2H3/t6-/m1/s1

InChI Key

SMUXTLISYBPIAU-ZCFIWIBFSA-N

Formula

C10H12O2

SMILES

Cc1coc2c1C(=O)CC(C)C2

Molecular Weight¹

164.20

CAS

529-63-5

Other Names

• Evodone
• (R)-3,6-Dimethyl-6,7-dihydrobenzofuran-4(5H)-one

• 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	-7.22		Crippen Calculated Property
logPoct/wat	2.353		Crippen Calculated Property
McVol	128.880	ml/mol	McGowan Calculated Property
Inp	[1347.30; 1347.30]
Inp	1347.30		NIST
Inp	1347.30		NIST
I	[2020.00; 2020.00]
I	2020.00		NIST
I	2020.00		NIST

Similar Compounds

Find more compounds similar to 4(5H)-Benzofuranone, 6,7-dihydro-3,6-dimethyl-, (R)-.

Sources

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

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