Chemical Properties of Supinine (CAS 551-58-6)

InChI

InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-7-13-5-4-6-16(13)8-12/h8,10-11,13,17,19H,4-7,9H2,1-3H3/t11-,13?,15+/m0/s1

InChI Key

APQQKMAYNOGMPK-LKVSRFHLSA-N

Formula

C15H25NO4

SMILES

CC(C)C(O)(C(=O)OCC1=CN2CCCC2C1)C(C)O

Molecular Weight¹

283.36

CAS

551-58-6

• 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	-2.29		Crippen Calculated Property
logPoct/wat	1.049		Crippen Calculated Property
McVol	225.350	ml/mol	McGowan Calculated Property
Inp	[1977.00; 1978.00]
Inp	1978.00		NIST
Inp	1978.00		NIST
Inp	1978.00		NIST
Inp	Outlier 1977.00		NIST
Inp	1978.00		NIST
Inp	1978.00		NIST

Similar Compounds

Find more compounds similar to Supinine.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.