Chemical Properties of Castasterone, methaneboronate-TMS ether

InChI

InChI=1S/C35H65BO5Si2/c1-21(2)22(3)32(40-42(8,9)10)33(41-43(11,12)13)23(4)25-14-15-26-24-18-29(37)28-19-30-31(39-36(7)38-30)20-35(28,6)27(24)16-17-34(25,26)5/h21-28,30-33H,14-20H2,1-13H3/t22-,23-,24?,25+,26?,27?,28+,30-,31+,32+,33+,34+,35+/m1/s1

InChI Key

ULTPVQNCRBQLGU-GVCKCDDBSA-N

Formula

C35H65BO5Si2

SMILES

CB1OC2CC3C(=O)CC4C(CCC5(C)C(C(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C)C(C)C)CCC45)C3(C)CC2O1

Molecular Weight¹

632.87

• 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
logPoct/wat	8.705		Crippen Calculated Property
Inp	[3617.00; 3618.00]
Inp	3617.00		NIST
Inp	3618.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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 Castasterone, methaneboronate-TMS 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

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