tert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane

C16H25FO2Si — CID 54194528

IUPACtert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](c2ccc(F)cc2)O1
InChIInChI=1S/C16H25FO2Si/c1-16(2,3)20(4,5)19-15-11-10-14(18-15)12-6-8-13(17)9-7-12/h6-9,14-15H,10-11H2,1-5H3/t14-,15+/m1/s1
InChIKeyPKWDQBGDCUXMRX-CABCVRRESA-N
MW296.46 g/mol
LogP5.03
Rot. Bonds3

About tert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane

tert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane (PubChem CID 54194528) has the molecular formula C16H25FO2Si and a molecular weight of 296.46 g/mol. Its IUPAC name is tert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane
PubChem CID54194528
Molecular FormulaC16H25FO2Si
Molecular Weight296.46 g/mol
Exact Mass296.16
IUPAC Nametert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](c2ccc(F)cc2)O1
InChIInChI=1S/C16H25FO2Si/c1-16(2,3)20(4,5)19-15-11-10-14(18-15)12-6-8-13(17)9-7-12/h6-9,14-15H,10-11H2,1-5H3/t14-,15+/m1/s1
InChIKeyPKWDQBGDCUXMRX-CABCVRRESA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.03
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 tert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane (CID 54194528) is tert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](c2ccc(F)cc2)O1.
What is the InChIKey of tert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane?
The InChIKey is PKWDQBGDCUXMRX-CABCVRRESA-N. The full InChI is InChI=1S/C16H25FO2Si/c1-16(2,3)20(4,5)19-15-11-10-14(18-15)12-6-8-13(17)9-7-12/h6-9,14-15H,10-11H2,1-5H3/t14-,15+/m1/s1.
What are the key properties of tert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane has a molecular weight of 296.46 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,5R)-5-(4-fluorophenyl)oxolan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 54194528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).