[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane

C15H23BrO2Si — CID 125117332

IUPAC[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCOc2ccc(Br)cc21
InChIInChI=1S/C15H23BrO2Si/c1-15(2,3)19(4,5)18-14-8-9-17-13-7-6-11(16)10-12(13)14/h6-7,10,14H,8-9H2,1-5H3/t14-/m1/s1
InChIKeyYMWUULTZIYURCW-CQSZACIVSA-N
MW343.34 g/mol
LogP5.29
Rot. Bonds2

About [(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane

[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 125117332) has the molecular formula C15H23BrO2Si and a molecular weight of 343.34 g/mol. Its IUPAC name is [(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID125117332
Molecular FormulaC15H23BrO2Si
Molecular Weight343.34 g/mol
Exact Mass342.07
IUPAC Name[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCOc2ccc(Br)cc21
InChIInChI=1S/C15H23BrO2Si/c1-15(2,3)19(4,5)18-14-8-9-17-13-7-6-11(16)10-12(13)14/h6-7,10,14H,8-9H2,1-5H3/t14-/m1/s1
InChIKeyYMWUULTZIYURCW-CQSZACIVSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.34
LogP ≤ 55.29
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 [(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane (CID 125117332) is [(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CCOc2ccc(Br)cc21.
What is the InChIKey of [(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is YMWUULTZIYURCW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23BrO2Si/c1-15(2,3)19(4,5)18-14-8-9-17-13-7-6-11(16)10-12(13)14/h6-7,10,14H,8-9H2,1-5H3/t14-/m1/s1.
What are the key properties of [(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane?
[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 343.34 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 125117332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).