1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane

C19H27BrO2Si — CID 22018376

IUPAC1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCOc1ccc2cc(Br)ccc2c1C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H27BrO2Si/c1-13(22-23(6,7)19(2,3)4)18-16-10-9-15(20)12-14(16)8-11-17(18)21-5/h8-13H,1-7H3
InChIKeyUUSGCHIIJGLULH-UHFFFAOYSA-N
MW395.41 g/mol
LogP6.69
Rot. Bonds4

About 1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane

1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane (PubChem CID 22018376) has the molecular formula C19H27BrO2Si and a molecular weight of 395.41 g/mol. Its IUPAC name is 1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane
PubChem CID22018376
Molecular FormulaC19H27BrO2Si
Molecular Weight395.41 g/mol
Exact Mass394.10
IUPAC Name1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane
SMILESCOc1ccc2cc(Br)ccc2c1C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H27BrO2Si/c1-13(22-23(6,7)19(2,3)4)18-16-10-9-15(20)12-14(16)8-11-17(18)21-5/h8-13H,1-7H3
InChIKeyUUSGCHIIJGLULH-UHFFFAOYSA-N
XLogP6.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.41
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane (CID 22018376) is 1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane is COc1ccc2cc(Br)ccc2c1C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane?
The InChIKey is UUSGCHIIJGLULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrO2Si/c1-13(22-23(6,7)19(2,3)4)18-16-10-9-15(20)12-14(16)8-11-17(18)21-5/h8-13H,1-7H3.
What are the key properties of 1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane?
1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane has a molecular weight of 395.41 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-methoxynaphthalen-1-yl)ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 22018376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).