(6-bromonaphthalen-2-yl)oxy-tert-butyl-dimethylsilane

C16H21BrOSi — CID 13473083

IUPAC(6-bromonaphthalen-2-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H21BrOSi/c1-16(2,3)19(4,5)18-15-9-7-12-10-14(17)8-6-13(12)11-15/h6-11H,1-5H3
InChIKeySSFFBVWGOVGZJB-UHFFFAOYSA-N
MW337.33 g/mol
LogP5.99
Rot. Bonds2

About (6-bromonaphthalen-2-yl)oxy-tert-butyl-dimethylsilane

(6-bromonaphthalen-2-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 13473083) has the molecular formula C16H21BrOSi and a molecular weight of 337.33 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)oxy-tert-butyl-dimethylsilane
PubChem CID13473083
Molecular FormulaC16H21BrOSi
Molecular Weight337.33 g/mol
Exact Mass336.05
IUPAC Name(6-bromonaphthalen-2-yl)oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H21BrOSi/c1-16(2,3)19(4,5)18-15-9-7-12-10-14(17)8-6-13(12)11-15/h6-11H,1-5H3
InChIKeySSFFBVWGOVGZJB-UHFFFAOYSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.33
LogP ≤ 55.99
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-bromonaphthalen-2-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (6-bromonaphthalen-2-yl)oxy-tert-butyl-dimethylsilane (CID 13473083) is (6-bromonaphthalen-2-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (6-bromonaphthalen-2-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (6-bromonaphthalen-2-yl)oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of (6-bromonaphthalen-2-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is SSFFBVWGOVGZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrOSi/c1-16(2,3)19(4,5)18-15-9-7-12-10-14(17)8-6-13(12)11-15/h6-11H,1-5H3.
What are the key properties of (6-bromonaphthalen-2-yl)oxy-tert-butyl-dimethylsilane?
(6-bromonaphthalen-2-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 337.33 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 13473083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).