tert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane

C24H33FOSi — CID 123555800

IUPACtert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane
SMILESCc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccc(F)c2c1CCC2C
InChIInChI=1S/C24H33FOSi/c1-15-9-10-20-19(11-12-21(25)23(15)20)22-16(2)13-18(14-17(22)3)26-27(7,8)24(4,5)6/h11-15H,9-10H2,1-8H3
InChIKeyPSFRDIRIQVEJMB-UHFFFAOYSA-N
MW384.61 g/mol
LogP7.54
Rot. Bonds3

About tert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane

tert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane (PubChem CID 123555800) has the molecular formula C24H33FOSi and a molecular weight of 384.61 g/mol. Its IUPAC name is tert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane
PubChem CID123555800
Molecular FormulaC24H33FOSi
Molecular Weight384.61 g/mol
Exact Mass384.23
IUPAC Nametert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane
SMILESCc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccc(F)c2c1CCC2C
InChIInChI=1S/C24H33FOSi/c1-15-9-10-20-19(11-12-21(25)23(15)20)22-16(2)13-18(14-17(22)3)26-27(7,8)24(4,5)6/h11-15H,9-10H2,1-8H3
InChIKeyPSFRDIRIQVEJMB-UHFFFAOYSA-N
XLogP7.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(8S,9S,13R,14S,17R)-13-methyl-17-(2-triethylsilylethyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
CID 14541046
3-[(Trimethylsilyl)oxy]estra-1,3,5(10)-triene
CID 22296261
1,1'-Biphenyl, 2-fluoro-4'-[(trimethylsilyl)oxy]-
CID 16050264
Tert-butyl-dimethyl-[6-(trifluoromethyl)naphthalen-2-yl]oxysilane
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(3-Butyl-8-fluoronaphthalen-2-yl)oxy-tri(propan-2-yl)silane
CID 134949786
Tert-butyl-[4-(4-fluorophenyl)phenoxy]-dimethylsilane
CID 19092174
Tert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane
CID 23553285
Tert-butyl-(4-cyclohexyl-2-fluorophenoxy)-dimethylsilane
CID 54090403
Tert-butyl-[2-fluoro-4-(1-pentyl-1-phenylsilinan-4-yl)phenoxy]-dimethylsilane
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2-Cyclohexyl-9-ethyl-9-(fluoromethyl)-7-methylperoxyfluorene
CID 57626565
[3-[4-(4-Ethylcyclohexyl)-2-fluorophenyl]phenoxy]-tri(propan-2-yl)silane
CID 58660367
tert-butyl-diphenyl-[[1-(trifluoromethyl)-2,3-dihydro-1H-inden-5-yl]oxy]silane
CID 66615167

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane (CID 123555800) is tert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane is Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1-c1ccc(F)c2c1CCC2C.
What is the InChIKey of tert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane?
The InChIKey is PSFRDIRIQVEJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FOSi/c1-15-9-10-20-19(11-12-21(25)23(15)20)22-16(2)13-18(14-17(22)3)26-27(7,8)24(4,5)6/h11-15H,9-10H2,1-8H3.
What are the key properties of tert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane?
tert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane has a molecular weight of 384.61 g/mol, XLogP of 7.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(7-fluoro-1-methyl-2,3-dihydro-1H-inden-4-yl)-3,5-dimethylphenoxy]-dimethylsilane is sourced from PubChem (CID 123555800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).