Chemical Properties of Furopelargone B

InChI

InChI=1S/C15H22O2/c1-9(2)12-7-8-17-15(12)14-10(3)5-6-13(14)11(4)16/h7-10,13-14H,5-6H2,1-4H3

InChI Key

DVIZGXBTTFXQQC-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

CC(=O)C1CCC(C)C1c1occc1C(C)C

Molecular Weight¹

234.33

• 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	-8.36		Crippen Calculated Property
logPoct/wat	4.122		Crippen Calculated Property
McVol	199.330	ml/mol	McGowan Calculated Property
Inp	[1566.00; 1571.00]
Inp	1571.00		NIST
Inp	1567.00		NIST
Inp	1566.00		NIST
Inp	1566.00		NIST
I	[2065.00; 2121.00]
I	2121.00		NIST
I	2065.00		NIST
I	2109.00		NIST
I	2109.00		NIST
I	2109.00		NIST

Similar Compounds

Find more compounds similar to Furopelargone B.

Sources

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

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