lithium 3-(oxan-2-yloxy)propyl-diphenylsilanide

C20H25LiO2Si — CID 71500374

IUPAClithium 3-(oxan-2-yloxy)propyl-diphenylsilanide
SMILES[Li+].c1ccc([Si-](CCCOC2CCCCO2)c2ccccc2)cc1
InChIInChI=1S/C20H25O2Si.Li/c1-3-10-18(11-4-1)23(19-12-5-2-6-13-19)17-9-16-22-20-14-7-8-15-21-20;/h1-6,10-13,20H,7-9,14-17H2;/q-1;+1
InChIKeyVHNHXLFHNRYFLA-UHFFFAOYSA-N
MW332.44 g/mol
LogP0.23
Rot. Bonds7

About lithium 3-(oxan-2-yloxy)propyl-diphenylsilanide

lithium 3-(oxan-2-yloxy)propyl-diphenylsilanide (PubChem CID 71500374) has the molecular formula C20H25LiO2Si and a molecular weight of 332.44 g/mol. Its IUPAC name is lithium 3-(oxan-2-yloxy)propyl-diphenylsilanide.

Molecular Properties

Compound Namelithium 3-(oxan-2-yloxy)propyl-diphenylsilanide
PubChem CID71500374
Molecular FormulaC20H25LiO2Si
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Namelithium 3-(oxan-2-yloxy)propyl-diphenylsilanide
SMILES[Li+].c1ccc([Si-](CCCOC2CCCCO2)c2ccccc2)cc1
InChIInChI=1S/C20H25O2Si.Li/c1-3-10-18(11-4-1)23(19-12-5-2-6-13-19)17-9-16-22-20-14-7-8-15-21-20;/h1-6,10-13,20H,7-9,14-17H2;/q-1;+1
InChIKeyVHNHXLFHNRYFLA-UHFFFAOYSA-N
XLogP0.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Oxan-2-yl(diphenyl)silane
CID 123737238
1-(t-BUTYLDIPHENYLSILYLOXY)-6-FLUORO-7-(2-TETRAHYDROPYRANYLOXY)-5-HEPTENE
CID 53929479
tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane
CID 139774217
Tert-butyl-[2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane
CID 142591929
[2,2-Difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane
CID 175061850
tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane
CID 175967985
Tert-butyl-[4,4-difluoro-5-(oxan-2-yloxy)pentoxy]-diphenylsilane
CID 176410539
Tert-butyl-[9-(oxan-2-yloxy)nona-3,6-diynoxy]-diphenylsilane
CID 14463512
Dimethyl-[5-(oxan-2-yloxy)pent-1-ynyl]-phenylsilane
CID 85755132
1-(Oxan-2-yloxy)propa-1,2-dienyl-triphenylsilane
CID 85846920
Tert-butyl-[10-(oxan-2-yloxy)dec-3-enoxy]-diphenylsilane
CID 91332140
Dimethyl-[1-(oxan-2-yloxy)propa-1,2-dienyl]-phenylsilane
CID 101235926

Frequently Asked Questions

What is the IUPAC name of lithium 3-(oxan-2-yloxy)propyl-diphenylsilanide?
The IUPAC name of lithium 3-(oxan-2-yloxy)propyl-diphenylsilanide (CID 71500374) is lithium 3-(oxan-2-yloxy)propyl-diphenylsilanide.
What is the SMILES notation for lithium 3-(oxan-2-yloxy)propyl-diphenylsilanide?
The canonical SMILES for lithium 3-(oxan-2-yloxy)propyl-diphenylsilanide is [Li+].c1ccc([Si-](CCCOC2CCCCO2)c2ccccc2)cc1.
What is the InChIKey of lithium 3-(oxan-2-yloxy)propyl-diphenylsilanide?
The InChIKey is VHNHXLFHNRYFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25O2Si.Li/c1-3-10-18(11-4-1)23(19-12-5-2-6-13-19)17-9-16-22-20-14-7-8-15-21-20;/h1-6,10-13,20H,7-9,14-17H2;/q-1;+1.
What are the key properties of lithium 3-(oxan-2-yloxy)propyl-diphenylsilanide?
lithium 3-(oxan-2-yloxy)propyl-diphenylsilanide has a molecular weight of 332.44 g/mol, XLogP of 0.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-(oxan-2-yloxy)propyl-diphenylsilanide is sourced from PubChem (CID 71500374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).