tert-butyl-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane

C19H33FOSi — CID 57009914

IUPACtert-butyl-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane
SMILESCC(C)c1cc(F)c(CO[Si](C)(C)C(C)(C)C)c(C(C)C)c1
InChIInChI=1S/C19H33FOSi/c1-13(2)15-10-16(14(3)4)17(18(20)11-15)12-21-22(8,9)19(5,6)7/h10-11,13-14H,12H2,1-9H3
InChIKeyJFCBFKOJLHRRRD-UHFFFAOYSA-N
MW324.56 g/mol
LogP6.59
Rot. Bonds5

About tert-butyl-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane

tert-butyl-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane (PubChem CID 57009914) has the molecular formula C19H33FOSi and a molecular weight of 324.56 g/mol. Its IUPAC name is tert-butyl-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane
PubChem CID57009914
Molecular FormulaC19H33FOSi
Molecular Weight324.56 g/mol
Exact Mass324.23
IUPAC Nametert-butyl-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane
SMILESCC(C)c1cc(F)c(CO[Si](C)(C)C(C)(C)C)c(C(C)C)c1
InChIInChI=1S/C19H33FOSi/c1-13(2)15-10-16(14(3)4)17(18(20)11-15)12-21-22(8,9)19(5,6)7/h10-11,13-14H,12H2,1-9H3
InChIKeyJFCBFKOJLHRRRD-UHFFFAOYSA-N
XLogP6.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.56
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane (CID 57009914) is tert-butyl-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane is CC(C)c1cc(F)c(CO[Si](C)(C)C(C)(C)C)c(C(C)C)c1.
What is the InChIKey of tert-butyl-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane?
The InChIKey is JFCBFKOJLHRRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FOSi/c1-13(2)15-10-16(14(3)4)17(18(20)11-15)12-21-22(8,9)19(5,6)7/h10-11,13-14H,12H2,1-9H3.
What are the key properties of tert-butyl-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane?
tert-butyl-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane has a molecular weight of 324.56 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-fluoro-4,6-di(propan-2-yl)phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 57009914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).