tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane

C21H37FOSi — CID 135068187

IUPACtert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCC[C@H](F)CCc1ccccc1
InChIInChI=1S/C21H37FOSi/c1-21(2,3)24(4,5)23-18-12-7-6-11-15-20(22)17-16-19-13-9-8-10-14-19/h8-10,13-14,20H,6-7,11-12,15-18H2,1-5H3/t20-/m0/s1
InChIKeyNHSMMGYYWPDDPX-FQEVSTJZSA-N
MW352.61 g/mol
LogP6.93
Rot. Bonds11

About tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane

tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane (PubChem CID 135068187) has the molecular formula C21H37FOSi and a molecular weight of 352.61 g/mol. Its IUPAC name is tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane
PubChem CID135068187
Molecular FormulaC21H37FOSi
Molecular Weight352.61 g/mol
Exact Mass352.26
IUPAC Nametert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCCCC[C@H](F)CCc1ccccc1
InChIInChI=1S/C21H37FOSi/c1-21(2,3)24(4,5)23-18-12-7-6-11-15-20(22)17-16-19-13-9-8-10-14-19/h8-10,13-14,20H,6-7,11-12,15-18H2,1-5H3/t20-/m0/s1
InChIKeyNHSMMGYYWPDDPX-FQEVSTJZSA-N
XLogP6.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 56.93
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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Related Compounds

tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane
CID 132522568
(2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine
CID 71761913
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
N-benzyl-5-[tert-butyl(dimethyl)silyl]oxypentan-1-amine
CID 11709316
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619
tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane
CID 86287443
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-diphenylsilane
CID 11293613

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane (CID 135068187) is tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCCCC[C@H](F)CCc1ccccc1.
What is the InChIKey of tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane?
The InChIKey is NHSMMGYYWPDDPX-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H37FOSi/c1-21(2,3)24(4,5)23-18-12-7-6-11-15-20(22)17-16-19-13-9-8-10-14-19/h8-10,13-14,20H,6-7,11-12,15-18H2,1-5H3/t20-/m0/s1.
What are the key properties of tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane?
tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane has a molecular weight of 352.61 g/mol, XLogP of 6.93, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane is sourced from PubChem (CID 135068187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).