(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane

C16H25BrOSi — CID 23377895

IUPAC(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H25BrOSi/c1-16(2,3)19(4,5)18-15-9-7-12-10-14(17)8-6-13(12)11-15/h6,8,10,15H,7,9,11H2,1-5H3
InChIKeyRRLPPFMONZTMSD-UHFFFAOYSA-N
MW341.37 g/mol
LogP5.33
Rot. Bonds2

About (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane

(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 23377895) has the molecular formula C16H25BrOSi and a molecular weight of 341.37 g/mol. Its IUPAC name is (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane
PubChem CID23377895
Molecular FormulaC16H25BrOSi
Molecular Weight341.37 g/mol
Exact Mass340.09
IUPAC Name(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H25BrOSi/c1-16(2,3)19(4,5)18-15-9-7-12-10-14(17)8-6-13(12)11-15/h6,8,10,15H,7,9,11H2,1-5H3
InChIKeyRRLPPFMONZTMSD-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.37
LogP ≤ 55.33
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 (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane (CID 23377895) is (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CCc2cc(Br)ccc2C1.
What is the InChIKey of (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is RRLPPFMONZTMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrOSi/c1-16(2,3)19(4,5)18-15-9-7-12-10-14(17)8-6-13(12)11-15/h6,8,10,15H,7,9,11H2,1-5H3.
What are the key properties of (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane?
(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 341.37 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 23377895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).