Chemical Properties of 3-Tigloyloxy-6-(2-Methylpropanoyl)oxy-7-hydroxytropane (CAS 1341219-31-5)

InChI

InChI=1S/C17H27NO5/c1-6-10(4)17(21)22-11-7-12-14(19)15(13(8-11)18(12)5)23-16(20)9(2)3/h6,9,11-15,19H,7-8H2,1-5H3/b10-6+

InChI Key

RZKWUOOSGIFSGP-UXBLZVDNSA-N

Formula

C17H27NO5

SMILES

CC=C(C)C(=O)OC1CC2C(O)C(OC(=O)C(C)C)C(C1)N2C

Molecular Weight¹

325.40

CAS

1341219-31-5

• 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	-2.46		Crippen Calculated Property
logPoct/wat	1.269		Crippen Calculated Property
McVol	255.100	ml/mol	McGowan Calculated Property
Inp	[2208.10; 2208.10]
Inp	2208.10		NIST
Inp	2208.10		NIST

Similar Compounds

Find more compounds similar to 3-Tigloyloxy-6-(2-Methylpropanoyl)oxy-7-hydroxytropane.

Sources

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

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