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

C17H23BrOSi — CID 13473071

IUPAC(6-bromonaphthalen-2-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H23BrOSi/c1-17(2,3)20(4,5)19-12-13-6-7-15-11-16(18)9-8-14(15)10-13/h6-11H,12H2,1-5H3
InChIKeyZOOFMPPOMQXNLH-UHFFFAOYSA-N
MW351.36 g/mol
LogP6.12
Rot. Bonds3

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

(6-bromonaphthalen-2-yl)methoxy-tert-butyl-dimethylsilane (PubChem CID 13473071) has the molecular formula C17H23BrOSi and a molecular weight of 351.36 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)methoxy-tert-butyl-dimethylsilane
PubChem CID13473071
Molecular FormulaC17H23BrOSi
Molecular Weight351.36 g/mol
Exact Mass350.07
IUPAC Name(6-bromonaphthalen-2-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H23BrOSi/c1-17(2,3)20(4,5)19-12-13-6-7-15-11-16(18)9-8-14(15)10-13/h6-11H,12H2,1-5H3
InChIKeyZOOFMPPOMQXNLH-UHFFFAOYSA-N
XLogP6.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.36
LogP ≤ 56.12
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)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (6-bromonaphthalen-2-yl)methoxy-tert-butyl-dimethylsilane (CID 13473071) is (6-bromonaphthalen-2-yl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (6-bromonaphthalen-2-yl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (6-bromonaphthalen-2-yl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccc2cc(Br)ccc2c1.
What is the InChIKey of (6-bromonaphthalen-2-yl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is ZOOFMPPOMQXNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrOSi/c1-17(2,3)20(4,5)19-12-13-6-7-15-11-16(18)9-8-14(15)10-13/h6-11H,12H2,1-5H3.
What are the key properties of (6-bromonaphthalen-2-yl)methoxy-tert-butyl-dimethylsilane?
(6-bromonaphthalen-2-yl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 351.36 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 13473071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).