(4-bromo-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane

C15H23BrOSi — CID 23358296

IUPAC(4-bromo-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCc2c(Br)cccc21
InChIInChI=1S/C15H23BrOSi/c1-15(2,3)18(4,5)17-14-10-9-11-12(14)7-6-8-13(11)16/h6-8,14H,9-10H2,1-5H3
InChIKeyCPNJYUJMJOGAMA-UHFFFAOYSA-N
MW327.34 g/mol
LogP5.46
Rot. Bonds2

About (4-bromo-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane

(4-bromo-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 23358296) has the molecular formula C15H23BrOSi and a molecular weight of 327.34 g/mol. Its IUPAC name is (4-bromo-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(4-bromo-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane
PubChem CID23358296
Molecular FormulaC15H23BrOSi
Molecular Weight327.34 g/mol
Exact Mass326.07
IUPAC Name(4-bromo-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCc2c(Br)cccc21
InChIInChI=1S/C15H23BrOSi/c1-15(2,3)18(4,5)17-14-10-9-11-12(14)7-6-8-13(11)16/h6-8,14H,9-10H2,1-5H3
InChIKeyCPNJYUJMJOGAMA-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.34
LogP ≤ 55.46
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

4-Bromo-1-indanol
CID 13330208
(1R)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915875
5-Bromo-2,3-dihydro-1-(1-methylethoxy)-1H-indene
CID 47002601
(1S)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915874
7-Bromo-2,3-dihydro-1H-inden-1-ol
CID 58306680
(2-Bromobenzyloxy)tert-butyldimethylsilane
CID 13424900
1-Bromo-3-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)benzene
CID 22033147
1-(3-Bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane
CID 20785308
[(1S)-1-(3-bromo-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane
CID 60003820
1-(2-Bromo-4-fluorophenyl)prop-2-enoxy-tert-butyl-dimethylsilane
CID 69671664
1-(2-Bromo-5-fluorophenyl)prop-2-enoxy-tert-butyl-dimethylsilane
CID 69671697
1-(2-Bromo-6-fluorophenyl)prop-2-enoxy-tert-butyl-dimethylsilane
CID 69671917

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (4-bromo-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane (CID 23358296) is (4-bromo-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (4-bromo-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (4-bromo-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCc2c(Br)cccc21.
What is the InChIKey of (4-bromo-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is CPNJYUJMJOGAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrOSi/c1-15(2,3)18(4,5)17-14-10-9-11-12(14)7-6-8-13(11)16/h6-8,14H,9-10H2,1-5H3.
What are the key properties of (4-bromo-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane?
(4-bromo-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 327.34 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,3-dihydro-1H-inden-1-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 23358296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).