lithium;ethoxyethane;[phenyl-(2,4,6-tritert-butylphenyl)iminosilyl]-(2,4,6-tritert-butylphenyl)azanide

C46H73LiN2OSi — CID 15701769

IUPAClithium;ethoxyethane;[phenyl-(2,4,6-tritert-butylphenyl)iminosilyl]-(2,4,6-tritert-butylphenyl)azanide
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/N=[Si](/[N-]c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c2ccccc2)c(C(C)(C)C)c1.CCOCC.[Li+]
InChIInChI=1S/C42H63N2Si.C4H10O.Li/c1-37(2,3)28-24-31(39(7,8)9)35(32(25-28)40(10,11)12)43-45(30-22-20-19-21-23-30)44-36-33(41(13,14)15)26-29(38(4,5)6)27-34(36)42(16,17)18;1-3-5-4-2;/h19-27H,1-18H3;3-4H2,1-2H3;/q-1;;+1/b45-43+;;
InChIKeyGIVINIQSFCLGKL-OGDGMPRMSA-N
MW705.13 g/mol
LogP10.52
Rot. Bonds6

About lithium;ethoxyethane;[phenyl-(2,4,6-tritert-butylphenyl)iminosilyl]-(2,4,6-tritert-butylphenyl)azanide

lithium;ethoxyethane;[phenyl-(2,4,6-tritert-butylphenyl)iminosilyl]-(2,4,6-tritert-butylphenyl)azanide (PubChem CID 15701769) has the molecular formula C46H73LiN2OSi and a molecular weight of 705.13 g/mol. Its IUPAC name is lithium;ethoxyethane;[phenyl-(2,4,6-tritert-butylphenyl)iminosilyl]-(2,4,6-tritert-butylphenyl)azanide.

Molecular Properties

Compound Namelithium;ethoxyethane;[phenyl-(2,4,6-tritert-butylphenyl)iminosilyl]-(2,4,6-tritert-butylphenyl)azanide
PubChem CID15701769
Molecular FormulaC46H73LiN2OSi
Molecular Weight705.13 g/mol
Exact Mass704.57
IUPAC Namelithium;ethoxyethane;[phenyl-(2,4,6-tritert-butylphenyl)iminosilyl]-(2,4,6-tritert-butylphenyl)azanide
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/N=[Si](/[N-]c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c2ccccc2)c(C(C)(C)C)c1.CCOCC.[Li+]
InChIInChI=1S/C42H63N2Si.C4H10O.Li/c1-37(2,3)28-24-31(39(7,8)9)35(32(25-28)40(10,11)12)43-45(30-22-20-19-21-23-30)44-36-33(41(13,14)15)26-29(38(4,5)6)27-34(36)42(16,17)18;1-3-5-4-2;/h19-27H,1-18H3;3-4H2,1-2H3;/q-1;;+1/b45-43+;;
InChIKeyGIVINIQSFCLGKL-OGDGMPRMSA-N
XLogP10.52
TPSA35.69 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.13
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;ethoxyethane;[phenyl-(2,4,6-tritert-butylphenyl)iminosilyl]-(2,4,6-tritert-butylphenyl)azanide?
The IUPAC name of lithium;ethoxyethane;[phenyl-(2,4,6-tritert-butylphenyl)iminosilyl]-(2,4,6-tritert-butylphenyl)azanide (CID 15701769) is lithium;ethoxyethane;[phenyl-(2,4,6-tritert-butylphenyl)iminosilyl]-(2,4,6-tritert-butylphenyl)azanide.
What is the SMILES notation for lithium;ethoxyethane;[phenyl-(2,4,6-tritert-butylphenyl)iminosilyl]-(2,4,6-tritert-butylphenyl)azanide?
The canonical SMILES for lithium;ethoxyethane;[phenyl-(2,4,6-tritert-butylphenyl)iminosilyl]-(2,4,6-tritert-butylphenyl)azanide is CC(C)(C)c1cc(C(C)(C)C)c(/N=[Si](/[N-]c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c2ccccc2)c(C(C)(C)C)c1.CCOCC.[Li+].
What is the InChIKey of lithium;ethoxyethane;[phenyl-(2,4,6-tritert-butylphenyl)iminosilyl]-(2,4,6-tritert-butylphenyl)azanide?
The InChIKey is GIVINIQSFCLGKL-OGDGMPRMSA-N. The full InChI is InChI=1S/C42H63N2Si.C4H10O.Li/c1-37(2,3)28-24-31(39(7,8)9)35(32(25-28)40(10,11)12)43-45(30-22-20-19-21-23-30)44-36-33(41(13,14)15)26-29(38(4,5)6)27-34(36)42(16,17)18;1-3-5-4-2;/h19-27H,1-18H3;3-4H2,1-2H3;/q-1;;+1/b45-43+;;.
What are the key properties of lithium;ethoxyethane;[phenyl-(2,4,6-tritert-butylphenyl)iminosilyl]-(2,4,6-tritert-butylphenyl)azanide?
lithium;ethoxyethane;[phenyl-(2,4,6-tritert-butylphenyl)iminosilyl]-(2,4,6-tritert-butylphenyl)azanide has a molecular weight of 705.13 g/mol, XLogP of 10.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;ethoxyethane;[phenyl-(2,4,6-tritert-butylphenyl)iminosilyl]-(2,4,6-tritert-butylphenyl)azanide is sourced from PubChem (CID 15701769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).