lithium;oxolane;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-[(E)-1-phenyl-2-trimethylsilylethenyl]azanide

C25H37LiN2OSi2 — CID 139153796

IUPAClithium;oxolane;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-[(E)-1-phenyl-2-trimethylsilylethenyl]azanide
SMILESC1CCOC1.C[Si](C)(C)/C=C(/[N-]/C(=N/[Si](C)(C)C)c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C21H29N2Si2.C4H8O.Li/c1-24(2,3)17-20(18-13-9-7-10-14-18)22-21(23-25(4,5)6)19-15-11-8-12-16-19;1-2-4-5-3-1;/h7-17H,1-6H3;1-4H2;/q-1;;+1/b20-17+;;
InChIKeyPXKCFRFIUXWHJC-NNIZZXHBSA-N
MW444.70 g/mol
LogP4.36
Rot. Bonds5

About lithium;oxolane;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-[(E)-1-phenyl-2-trimethylsilylethenyl]azanide

lithium;oxolane;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-[(E)-1-phenyl-2-trimethylsilylethenyl]azanide (PubChem CID 139153796) has the molecular formula C25H37LiN2OSi2 and a molecular weight of 444.70 g/mol. Its IUPAC name is lithium;oxolane;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-[(E)-1-phenyl-2-trimethylsilylethenyl]azanide.

Molecular Properties

Compound Namelithium;oxolane;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-[(E)-1-phenyl-2-trimethylsilylethenyl]azanide
PubChem CID139153796
Molecular FormulaC25H37LiN2OSi2
Molecular Weight444.70 g/mol
Exact Mass444.26
IUPAC Namelithium;oxolane;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-[(E)-1-phenyl-2-trimethylsilylethenyl]azanide
SMILESC1CCOC1.C[Si](C)(C)/C=C(/[N-]/C(=N/[Si](C)(C)C)c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C21H29N2Si2.C4H8O.Li/c1-24(2,3)17-20(18-13-9-7-10-14-18)22-21(23-25(4,5)6)19-15-11-8-12-16-19;1-2-4-5-3-1;/h7-17H,1-6H3;1-4H2;/q-1;;+1/b20-17+;;
InChIKeyPXKCFRFIUXWHJC-NNIZZXHBSA-N
XLogP4.36
TPSA35.69 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.70
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethane;1-fluoroethenylbenzene;oxolane
CID 91220828
[(E,3Z)-1,3-diphenyl-3-trimethylsilyliminoprop-1-enyl]-trimethylsilylazanide
CID 177406354
tetrakis([(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-trimethylsilylazanide);bis(prop-1-yne);bis(yttrium(3+))
CID 134903095
benzoic acid;oxane
CID 158907979
oxane;oxolane;toluene
CID 70182101
CID 11093162
CID 11093162
trimethyl-[(E)-2-phenyl-3-trimethylsilylprop-1-enyl]silane
CID 10015597
trimethyl-[(1Z)-3-methyl-2-phenylpenta-1,4-dienyl]silane
CID 10609523
(2-formylphenyl)boronic acid;oxolane
CID 174736700
[(E,3Z)-1,3-bis(4-phenylphenyl)-3-trimethylsilyliminoprop-1-enyl]-trimethylsilylazanide
CID 177483543
trimethyl(2,5,5-triphenylpenta-1,4-dienyl)silane
CID 601377
N,N,N'-tris(trimethylsilyl)benzenecarboximidamide
CID 18461962

Frequently Asked Questions

What is the IUPAC name of lithium;oxolane;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-[(E)-1-phenyl-2-trimethylsilylethenyl]azanide?
The IUPAC name of lithium;oxolane;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-[(E)-1-phenyl-2-trimethylsilylethenyl]azanide (CID 139153796) is lithium;oxolane;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-[(E)-1-phenyl-2-trimethylsilylethenyl]azanide.
What is the SMILES notation for lithium;oxolane;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-[(E)-1-phenyl-2-trimethylsilylethenyl]azanide?
The canonical SMILES for lithium;oxolane;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-[(E)-1-phenyl-2-trimethylsilylethenyl]azanide is C1CCOC1.C[Si](C)(C)/C=C(/[N-]/C(=N/[Si](C)(C)C)c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium;oxolane;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-[(E)-1-phenyl-2-trimethylsilylethenyl]azanide?
The InChIKey is PXKCFRFIUXWHJC-NNIZZXHBSA-N. The full InChI is InChI=1S/C21H29N2Si2.C4H8O.Li/c1-24(2,3)17-20(18-13-9-7-10-14-18)22-21(23-25(4,5)6)19-15-11-8-12-16-19;1-2-4-5-3-1;/h7-17H,1-6H3;1-4H2;/q-1;;+1/b20-17+;;.
What are the key properties of lithium;oxolane;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-[(E)-1-phenyl-2-trimethylsilylethenyl]azanide?
lithium;oxolane;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-[(E)-1-phenyl-2-trimethylsilylethenyl]azanide has a molecular weight of 444.70 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;oxolane;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-[(E)-1-phenyl-2-trimethylsilylethenyl]azanide is sourced from PubChem (CID 139153796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).