Chemical Properties of GA62, MeTMS

InChI

InChI=1S/C23H32O5Si/c1-13-11-22-12-14(13)7-8-15(22)23-16(28-29(4,5)6)9-10-21(2,20(25)27-23)18(23)17(22)19(24)26-3/h9-10,14-18H,1,7-8,11-12H2,2-6H3/t14-,15?,16-,17-,18?,21-,22+,23+/m0/s1

InChI Key

OWKLDICCFUHXEP-CIDOZKHUSA-N

Formula

C23H32O5Si

SMILES

C=C1CC23CC1CCC2C12OC(=O)C(C)(C=CC1O[Si](C)(C)C)C2C3C(=O)OC

Molecular Weight¹

416.58

Other Names

• GA62 methyl ester TMS ether

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.27		Crippen Calculated Property
logPoct/wat	3.860		Crippen Calculated Property
Inp	[2418.00; 2439.00]
Inp	2424.00		NIST
Inp	2419.00		NIST
Inp	Outlier 2439.00		NIST
Inp	2418.00		NIST
Inp	2420.00		NIST
Inp	2422.00		NIST

Similar Compounds

Find more compounds similar to GA62, MeTMS.

Sources

• Crippen Method
• Crippen Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.