tert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane

C28H35FO2Si — CID 138975568

IUPACtert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane
SMILESCC(C)(C)[Si](OC(CF)CCCOCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35FO2Si/c1-28(2,3)32(26-17-9-5-10-18-26,27-19-11-6-12-20-27)31-25(22-29)16-13-21-30-23-24-14-7-4-8-15-24/h4-12,14-15,17-20,25H,13,16,21-23H2,1-3H3
InChIKeyXAPBEJIBPYFXSV-UHFFFAOYSA-N
MW450.67 g/mol
LogP5.90
Rot. Bonds11

About tert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane

tert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane (PubChem CID 138975568) has the molecular formula C28H35FO2Si and a molecular weight of 450.67 g/mol. Its IUPAC name is tert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane
PubChem CID138975568
Molecular FormulaC28H35FO2Si
Molecular Weight450.67 g/mol
Exact Mass450.24
IUPAC Nametert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane
SMILESCC(C)(C)[Si](OC(CF)CCCOCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35FO2Si/c1-28(2,3)32(26-17-9-5-10-18-26,27-19-11-6-12-20-27)31-25(22-29)16-13-21-30-23-24-14-7-4-8-15-24/h4-12,14-15,17-20,25H,13,16,21-23H2,1-3H3
InChIKeyXAPBEJIBPYFXSV-UHFFFAOYSA-N
XLogP5.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.67
LogP ≤ 55.90
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

Bis(1-phenylethyl) ether
CID 62342
Dimethyl(diphenylmethoxy)(pentafluorophenyl)silane
CID 4581060
(2S,3S,4R,5R)-2-fluoro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 11144310
(2S,3R,4S,5R,6R)-2-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxane
CID 11454686
(2-Fluoro-3-phenylmethoxypropoxy)methylbenzene
CID 12099515
[6-Fluoro-4-(3-methylbutyl)-9-phenylmethoxynona-4,5-dienoxy]methylbenzene
CID 101391207
3,4-bis[(4-fluorophenyl)selanyl]-5,5-dimethyl-2-phenyl-2H-furan
CID 154711565
(2S,3R,4R,5R)-2-fluoro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 11729519
2,3,4-Tri-O-benzyl-L-fucopyranosyl fluoride
CID 11826245
Isopropyl trityl ether
CID 12333459
(2R,3R,4R,5R)-2-fluoro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 14079817
1-(1-Phenylpropoxy)propylbenzene
CID 458093

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane?
The IUPAC name of tert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane (CID 138975568) is tert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane?
The canonical SMILES for tert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane is CC(C)(C)[Si](OC(CF)CCCOCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane?
The InChIKey is XAPBEJIBPYFXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FO2Si/c1-28(2,3)32(26-17-9-5-10-18-26,27-19-11-6-12-20-27)31-25(22-29)16-13-21-30-23-24-14-7-4-8-15-24/h4-12,14-15,17-20,25H,13,16,21-23H2,1-3H3.
What are the key properties of tert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane?
tert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane has a molecular weight of 450.67 g/mol, XLogP of 5.90, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-fluoro-5-phenylmethoxypentan-2-yl)oxy-diphenylsilane is sourced from PubChem (CID 138975568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).