tert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane

C19H27FO2S2Si — CID 19033989

IUPACtert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=CC=C(COc2ccccc2CF)SS1
InChIInChI=1S/C19H27FO2S2Si/c1-19(2,3)25(4,5)22-14-17-11-10-16(23-24-17)13-21-18-9-7-6-8-15(18)12-20/h6-11H,12-14H2,1-5H3
InChIKeySVTIERJXGLPWND-UHFFFAOYSA-N
MW398.64 g/mol
LogP6.72
Rot. Bonds7

About tert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane

tert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane (PubChem CID 19033989) has the molecular formula C19H27FO2S2Si and a molecular weight of 398.64 g/mol. Its IUPAC name is tert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane
PubChem CID19033989
Molecular FormulaC19H27FO2S2Si
Molecular Weight398.64 g/mol
Exact Mass398.12
IUPAC Nametert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1=CC=C(COc2ccccc2CF)SS1
InChIInChI=1S/C19H27FO2S2Si/c1-19(2,3)25(4,5)22-14-17-11-10-16(23-24-17)13-21-18-9-7-6-8-15(18)12-20/h6-11H,12-14H2,1-5H3
InChIKeySVTIERJXGLPWND-UHFFFAOYSA-N
XLogP6.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.64
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylmethoxyphenyl]methoxy]-dimethylsilane
CID 57099550
tert-butyl-[[6-[3-[tert-butyl(dimethyl)silyl]oxy-5-methoxyquinoxalin-2-yl]dithiin-3-yl]methoxy]-dimethylsilane
CID 19033992
2-[[6-[[tert-butyl(dimethyl)silyl]oxymethyl]dithiin-3-yl]methyl]-1H-pyridazine-3,6-dione
CID 10249457
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 102186248
tert-butyl-[[2-(cyclopropylmethyl)phenyl]methoxy]-dimethylsilane
CID 142662334
tert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane
CID 140612635
4-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenoxy]methyl]-2-(2-methylphenyl)benzoic acid
CID 22014377
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-ol
CID 19981621
[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
CID 15535714
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-3-yl]methoxy]-dimethylsilane
CID 10690703
tert-butyl-[(3-methoxy-2-prop-2-enylphenyl)methoxy]-dimethylsilane
CID 11197121
tert-butyl-dimethyl-[[2-(2-methylpyrazol-3-yl)-3-pyridinyl]methoxy]silane
CID 86690744

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane (CID 19033989) is tert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1=CC=C(COc2ccccc2CF)SS1.
What is the InChIKey of tert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane?
The InChIKey is SVTIERJXGLPWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FO2S2Si/c1-19(2,3)25(4,5)22-14-17-11-10-16(23-24-17)13-21-18-9-7-6-8-15(18)12-20/h6-11H,12-14H2,1-5H3.
What are the key properties of tert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane?
tert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane has a molecular weight of 398.64 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[6-[[2-(fluoromethyl)phenoxy]methyl]dithiin-3-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 19033989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).