Chemical Properties of Pentazocine, trimethylsilyl ether

InChI

InChI=1S/C22H35NOSi/c1-16(2)10-12-23-13-11-22(4)17(3)21(23)14-18-8-9-19(15-20(18)22)24-25(5,6)7/h8-10,15,17,21H,11-14H2,1-7H3

InChI Key

KMKNLGHEFMHPCX-UHFFFAOYSA-N

Formula

C22H35NOSi

SMILES

CC(C)=CCN1CCC2(C)c3cc(O[Si](C)(C)C)ccc3CC1C2C

Molecular Weight¹

357.60

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

Physical Properties

Property	Value	Unit	Source
log10WS	-4.51		Relay (1.0) Calculated Property
logPoct/wat	5.391		Crippen Calculated Property
Inp	[2282.60; 2282.60]
Inp	2282.60		NIST
Inp	2282.60		NIST
Tfus	371.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Pentazocine, trimethylsilyl ether.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.