Chemical Properties of 3,6-Ditigloyloxy-7-hydroxytropane (CAS 1617-45-4)

InChI

InChI=1S/C18H27NO5/c1-6-10(3)17(21)23-12-8-13-15(20)16(14(9-12)19(13)5)24-18(22)11(4)7-2/h6-7,12-16,20H,8-9H2,1-5H3/b10-6+,11-7+

InChI Key

FRQMNJFBOJQRAQ-JMQWPVDRSA-N

Formula

C18H27NO5

SMILES

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

Molecular Weight¹

337.41

CAS

1617-45-4

• 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	-2.97		Crippen Calculated Property
logPoct/wat	1.580		Crippen Calculated Property
McVol	264.890	ml/mol	McGowan Calculated Property
Inp	[2429.10; 2429.10]
Inp	2429.10		NIST
Inp	2429.10		NIST

Similar Compounds

Find more compounds similar to 3,6-Ditigloyloxy-7-hydroxytropane.

Sources

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

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