tert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane

C20H35FOSi — CID 134955295

IUPACtert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane
SMILESCCCC(CCCO[Si](C)(C)C(C)(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C20H35FOSi/c1-7-9-17(16-18-11-13-19(21)14-12-18)10-8-15-22-23(5,6)20(2,3)4/h11-14,17H,7-10,15-16H2,1-6H3
InChIKeyNJDXBZOJORYEQH-UHFFFAOYSA-N
MW338.58 g/mol
LogP6.59
Rot. Bonds9

About tert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane

tert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane (PubChem CID 134955295) has the molecular formula C20H35FOSi and a molecular weight of 338.58 g/mol. Its IUPAC name is tert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane
PubChem CID134955295
Molecular FormulaC20H35FOSi
Molecular Weight338.58 g/mol
Exact Mass338.24
IUPAC Nametert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane
SMILESCCCC(CCCO[Si](C)(C)C(C)(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C20H35FOSi/c1-7-9-17(16-18-11-13-19(21)14-12-18)10-8-15-22-23(5,6)20(2,3)4/h11-14,17H,7-10,15-16H2,1-6H3
InChIKeyNJDXBZOJORYEQH-UHFFFAOYSA-N
XLogP6.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane (CID 134955295) is tert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane is CCCC(CCCO[Si](C)(C)C(C)(C)C)Cc1ccc(F)cc1.
What is the InChIKey of tert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane?
The InChIKey is NJDXBZOJORYEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35FOSi/c1-7-9-17(16-18-11-13-19(21)14-12-18)10-8-15-22-23(5,6)20(2,3)4/h11-14,17H,7-10,15-16H2,1-6H3.
What are the key properties of tert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane?
tert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane has a molecular weight of 338.58 g/mol, XLogP of 6.59, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S)-4-[(4-fluorophenyl)methyl]heptoxy]-dimethylsilane is sourced from PubChem (CID 134955295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).