tert-butyl-[[3-[2-[(2-fluorophenyl)methoxy]-2-methylpropoxy]phenyl]methoxy]-dimethylsilane

C24H35FO3Si — CID 67667949

IUPACtert-butyl-[[3-[2-[(2-fluorophenyl)methoxy]-2-methylpropoxy]phenyl]methoxy]-dimethylsilane
SMILESCC(C)(COc1cccc(CO[Si](C)(C)C(C)(C)C)c1)OCc1ccccc1F
InChIInChI=1S/C24H35FO3Si/c1-23(2,3)29(6,7)28-16-19-11-10-13-21(15-19)26-18-24(4,5)27-17-20-12-8-9-14-22(20)25/h8-15H,16-18H2,1-7H3
InChIKeyISGQASJSGVCURP-UHFFFAOYSA-N
MW418.63 g/mol
LogP6.72
Rot. Bonds9

About tert-butyl-[[3-[2-[(2-fluorophenyl)methoxy]-2-methylpropoxy]phenyl]methoxy]-dimethylsilane

tert-butyl-[[3-[2-[(2-fluorophenyl)methoxy]-2-methylpropoxy]phenyl]methoxy]-dimethylsilane (PubChem CID 67667949) has the molecular formula C24H35FO3Si and a molecular weight of 418.63 g/mol. Its IUPAC name is tert-butyl-[[3-[2-[(2-fluorophenyl)methoxy]-2-methylpropoxy]phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-[2-[(2-fluorophenyl)methoxy]-2-methylpropoxy]phenyl]methoxy]-dimethylsilane
PubChem CID67667949
Molecular FormulaC24H35FO3Si
Molecular Weight418.63 g/mol
Exact Mass418.23
IUPAC Nametert-butyl-[[3-[2-[(2-fluorophenyl)methoxy]-2-methylpropoxy]phenyl]methoxy]-dimethylsilane
SMILESCC(C)(COc1cccc(CO[Si](C)(C)C(C)(C)C)c1)OCc1ccccc1F
InChIInChI=1S/C24H35FO3Si/c1-23(2,3)29(6,7)28-16-19-11-10-13-21(15-19)26-18-24(4,5)27-17-20-12-8-9-14-22(20)25/h8-15H,16-18H2,1-7H3
InChIKeyISGQASJSGVCURP-UHFFFAOYSA-N
XLogP6.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.63
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane
CID 57096912
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
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3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
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[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanamine
CID 22049979
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295925
N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720695
tert-butyl-dimethyl-[(3,4,5-trifluorophenyl)methoxy]silane
CID 91735449
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CID 146264019
4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol
CID 111336609
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332478
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 2983913
tert-butyl-[(2-fluoro-5-methoxyphenyl)methoxy]-dimethylsilane
CID 140698939

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-[2-[(2-fluorophenyl)methoxy]-2-methylpropoxy]phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-[2-[(2-fluorophenyl)methoxy]-2-methylpropoxy]phenyl]methoxy]-dimethylsilane (CID 67667949) is tert-butyl-[[3-[2-[(2-fluorophenyl)methoxy]-2-methylpropoxy]phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-[2-[(2-fluorophenyl)methoxy]-2-methylpropoxy]phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-[2-[(2-fluorophenyl)methoxy]-2-methylpropoxy]phenyl]methoxy]-dimethylsilane is CC(C)(COc1cccc(CO[Si](C)(C)C(C)(C)C)c1)OCc1ccccc1F.
What is the InChIKey of tert-butyl-[[3-[2-[(2-fluorophenyl)methoxy]-2-methylpropoxy]phenyl]methoxy]-dimethylsilane?
The InChIKey is ISGQASJSGVCURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FO3Si/c1-23(2,3)29(6,7)28-16-19-11-10-13-21(15-19)26-18-24(4,5)27-17-20-12-8-9-14-22(20)25/h8-15H,16-18H2,1-7H3.
What are the key properties of tert-butyl-[[3-[2-[(2-fluorophenyl)methoxy]-2-methylpropoxy]phenyl]methoxy]-dimethylsilane?
tert-butyl-[[3-[2-[(2-fluorophenyl)methoxy]-2-methylpropoxy]phenyl]methoxy]-dimethylsilane has a molecular weight of 418.63 g/mol, XLogP of 6.72, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-[2-[(2-fluorophenyl)methoxy]-2-methylpropoxy]phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 67667949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).