Chemical Properties of C31-Aetio-porphyrin, Si-(OTMS)2-derivative

InChI

InChI=1S/C37H52N4O2Si3/c1-15-27-24(6)30-18-34-22(4)23(5)35-20-32-28(16-2)25(7)31(39-32)19-37-29(17-3)26(8)36(21-33(27)38-30)41(37)46(40(34)35,42-44(9,10)11)43-45(12,13)14/h18-21H,15-17H2,1-14H3/b30-18-,31-19-,32-20-,33-21-,34-18-,35-20-,36-21-,37-19-

InChI Key

ABUGPPZUQKANIA-XGRMMTBOSA-N

Formula

C37H52N4O2Si3

SMILES

CCC1=C(C)C2=NC1=Cc1c(C)c(C)c3n1[Si](O[Si](C)(C)C)(O[Si](C)(C)C)n1c(c(C)c(CC)c1=C2)=CC1=NC(=C3)C(C)=C1CC

Molecular Weight¹

669.09

• 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	7.944		Crippen Calculated Property
Inp	[3200.00; 3200.00]
Inp	3200.00		NIST
Inp	3200.00		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 C31-Aetio-porphyrin, Si-(OTMS)2-derivative.

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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