lithium;tert-butyl(diphenyl)silanide;oxolane

C28H43LiO3Si — CID 11048856

IUPAClithium;tert-butyl(diphenyl)silanide;oxolane
SMILESC1CCOC1.C1CCOC1.C1CCOC1.CC(C)(C)[Si-](c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C16H19Si.3C4H8O.Li/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;3*1-2-4-5-3-1;/h4-13H,1-3H3;3*1-4H2;/q-1;;;;+1
InChIKeyOLJQDWUDOIAGAZ-UHFFFAOYSA-N
MW462.68 g/mol
LogP2.49
Rot. Bonds2

About lithium;tert-butyl(diphenyl)silanide;oxolane

lithium;tert-butyl(diphenyl)silanide;oxolane (PubChem CID 11048856) has the molecular formula C28H43LiO3Si and a molecular weight of 462.68 g/mol. Its IUPAC name is lithium;tert-butyl(diphenyl)silanide;oxolane.

Molecular Properties

Compound Namelithium;tert-butyl(diphenyl)silanide;oxolane
PubChem CID11048856
Molecular FormulaC28H43LiO3Si
Molecular Weight462.68 g/mol
Exact Mass462.31
IUPAC Namelithium;tert-butyl(diphenyl)silanide;oxolane
SMILESC1CCOC1.C1CCOC1.C1CCOC1.CC(C)(C)[Si-](c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C16H19Si.3C4H8O.Li/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;3*1-2-4-5-3-1;/h4-13H,1-3H3;3*1-4H2;/q-1;;;;+1
InChIKeyOLJQDWUDOIAGAZ-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.68
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disodium;benzene;ditert-butyl(phenyl)silanide;oxolane
CID 73163246
potassium tert-butyl(diphenyl)silanide
CID 14174244
anisole;oxolane
CID 21469894
oxolane;phenoxybenzene
CID 22620896
oxane;oxolane;toluene
CID 70182101
hexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide)
CID 139036812
1,2-bis(trifluoromethyl)benzene;oxolane
CID 158991746
benzene;oxane
CID 19832785
calcium;bis(2,6-ditert-butylphenolate);oxolane
CID 139089230
benzeneselenolate;erbium(3+);oxolane
CID 139134737
benzoic acid;oxane
CID 158907979
tetralithium;bis(iron(2+));tetrakis(oxido-[oxido(diphenyl)silyl]oxy-diphenylsilane);oxolane
CID 139187845

Frequently Asked Questions

What is the IUPAC name of lithium;tert-butyl(diphenyl)silanide;oxolane?
The IUPAC name of lithium;tert-butyl(diphenyl)silanide;oxolane (CID 11048856) is lithium;tert-butyl(diphenyl)silanide;oxolane.
What is the SMILES notation for lithium;tert-butyl(diphenyl)silanide;oxolane?
The canonical SMILES for lithium;tert-butyl(diphenyl)silanide;oxolane is C1CCOC1.C1CCOC1.C1CCOC1.CC(C)(C)[Si-](c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium;tert-butyl(diphenyl)silanide;oxolane?
The InChIKey is OLJQDWUDOIAGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Si.3C4H8O.Li/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15;3*1-2-4-5-3-1;/h4-13H,1-3H3;3*1-4H2;/q-1;;;;+1.
What are the key properties of lithium;tert-butyl(diphenyl)silanide;oxolane?
lithium;tert-butyl(diphenyl)silanide;oxolane has a molecular weight of 462.68 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;tert-butyl(diphenyl)silanide;oxolane is sourced from PubChem (CID 11048856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).