Chemical Properties of GA51, MeTMS

InChI

InChI=1S/C23H34O5Si/c1-13-9-22-10-14(13)7-8-16(22)23-12-15(28-29(4,5)6)11-21(2,20(25)27-23)18(23)17(22)19(24)26-3/h14-18H,1,7-12H2,2-6H3/t14-,15-,16?,17-,18?,21-,22+,23-/m0/s1

InChI Key

SZCXNKBZPNFVSY-DHKAYQAPSA-N

Formula

C23H34O5Si

SMILES

C=C1CC23CC1CCC2C12CC(O[Si](C)(C)C)CC(C)(C(=O)O1)C2C3C(=O)OC

Molecular Weight¹

418.60

Other Names

• GA51 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	-2.41		Crippen Calculated Property
logPoct/wat	4.084		Crippen Calculated Property
Inp	[2490.00; 2549.00]
Inp	2538.00		NIST
Inp	2494.00		NIST
Inp	2491.00		NIST
Inp	2492.00		NIST
Inp	2547.00		NIST
Inp	2549.00		NIST
Inp	2519.00		NIST
Inp	2522.00		NIST
Inp	2528.00		NIST
Inp	2532.00		NIST
Inp	2534.00		NIST
Inp	2539.00		NIST
Inp	2490.00		NIST
Inp	2519.00		NIST
Inp	2539.00		NIST
Inp	2538.00		NIST
Inp	2549.00		NIST

Similar Compounds

Find more compounds similar to GA51, MeTMS.

Sources

• Crippen Method
• Crippen Method
• NIST Webbook

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