tert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane

C27H41FO2Si2 — CID 22639132

IUPACtert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)c2ccccc2-c2ccc(F)cc21
InChIInChI=1S/C27H41FO2Si2/c1-25(2,3)31(7,8)29-18-27(19-30-32(9,10)26(4,5)6)23-14-12-11-13-21(23)22-16-15-20(28)17-24(22)27/h11-17H,18-19H2,1-10H3
InChIKeyBVSIFOHDQYKNPL-UHFFFAOYSA-N
MW472.79 g/mol
LogP8.14
Rot. Bonds6

About tert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane

tert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane (PubChem CID 22639132) has the molecular formula C27H41FO2Si2 and a molecular weight of 472.79 g/mol. Its IUPAC name is tert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane
PubChem CID22639132
Molecular FormulaC27H41FO2Si2
Molecular Weight472.79 g/mol
Exact Mass472.26
IUPAC Nametert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)c2ccccc2-c2ccc(F)cc21
InChIInChI=1S/C27H41FO2Si2/c1-25(2,3)31(7,8)29-18-27(19-30-32(9,10)26(4,5)6)23-14-12-11-13-21(23)22-16-15-20(28)17-24(22)27/h11-17H,18-19H2,1-10H3
InChIKeyBVSIFOHDQYKNPL-UHFFFAOYSA-N
XLogP8.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.79
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane (CID 22639132) is tert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)c2ccccc2-c2ccc(F)cc21.
What is the InChIKey of tert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane?
The InChIKey is BVSIFOHDQYKNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41FO2Si2/c1-25(2,3)31(7,8)29-18-27(19-30-32(9,10)26(4,5)6)23-14-12-11-13-21(23)22-16-15-20(28)17-24(22)27/h11-17H,18-19H2,1-10H3.
What are the key properties of tert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane?
tert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane has a molecular weight of 472.79 g/mol, XLogP of 8.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[9-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorofluoren-9-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 22639132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).