Chemical Properties of 3-Isobutyryloxy-6-hydroxytropane

InChI

InChI=1S/C12H21NO3/c1-7(2)12(15)16-9-4-8-5-11(14)10(6-9)13(8)3/h7-11,14H,4-6H2,1-3H3/t8-,9?,10+,11?/m0/s1

InChI Key

CURGAJAGSGATLQ-QPBDYMMBSA-N

Formula

C12H21NO3

SMILES

CC(C)C(=O)OC1CC2CC(O)C(C1)N2C

Molecular Weight¹

227.30

• 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	-1.54		Crippen Calculated Property
logPoct/wat	0.782		Crippen Calculated Property
McVol	181.510	ml/mol	McGowan Calculated Property
Inp	[1570.00; 1570.00]
Inp	1570.00		NIST
Inp	1570.00		NIST

Similar Compounds

Find more compounds similar to 3-Isobutyryloxy-6-hydroxytropane.

Sources

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

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