2-(1-bromonaphthalen-2-yl)ethynyl-triethylsilane

C18H21BrSi — CID 10688869

IUPAC2-(1-bromonaphthalen-2-yl)ethynyl-triethylsilane
SMILESCC[Si](C#Cc1ccc2ccccc2c1Br)(CC)CC
InChIInChI=1S/C18H21BrSi/c1-4-20(5-2,6-3)14-13-16-12-11-15-9-7-8-10-17(15)18(16)19/h7-12H,4-6H2,1-3H3
InChIKeyXSZKQJFHOVXLFJ-UHFFFAOYSA-N
MW345.36 g/mol
LogP6.00
Rot. Bonds3

About 2-(1-bromonaphthalen-2-yl)ethynyl-triethylsilane

2-(1-bromonaphthalen-2-yl)ethynyl-triethylsilane (PubChem CID 10688869) has the molecular formula C18H21BrSi and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)ethynyl-triethylsilane.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)ethynyl-triethylsilane
PubChem CID10688869
Molecular FormulaC18H21BrSi
Molecular Weight345.36 g/mol
Exact Mass344.06
IUPAC Name2-(1-bromonaphthalen-2-yl)ethynyl-triethylsilane
SMILESCC[Si](C#Cc1ccc2ccccc2c1Br)(CC)CC
InChIInChI=1S/C18H21BrSi/c1-4-20(5-2,6-3)14-13-16-12-11-15-9-7-8-10-17(15)18(16)19/h7-12H,4-6H2,1-3H3
InChIKeyXSZKQJFHOVXLFJ-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.36
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-Bromoanthracene
CID 74062
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
1-Bromo-2-methylnaphthalene
CID 75754
1-Bromo-4-methylnaphthalene
CID 81112
2-Bromo-1-methylnaphthalene
CID 12433511
1-Bromo-7-methylnaphthalene
CID 347354
1-Bromo-6-methylnaphthalene
CID 640593
2-Bromo-6-methylnaphthalene
CID 640592
4-Bromophenanthrene
CID 299137
1-Bromo-8-methylnaphthalene
CID 4250949
1-Bromo-5-methylnaphthalene
CID 270563
1-Bromo-3-methylnaphthalene
CID 299127

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)ethynyl-triethylsilane?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)ethynyl-triethylsilane (CID 10688869) is 2-(1-bromonaphthalen-2-yl)ethynyl-triethylsilane.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)ethynyl-triethylsilane?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)ethynyl-triethylsilane is CC[Si](C#Cc1ccc2ccccc2c1Br)(CC)CC.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)ethynyl-triethylsilane?
The InChIKey is XSZKQJFHOVXLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrSi/c1-4-20(5-2,6-3)14-13-16-12-11-15-9-7-8-10-17(15)18(16)19/h7-12H,4-6H2,1-3H3.
What are the key properties of 2-(1-bromonaphthalen-2-yl)ethynyl-triethylsilane?
2-(1-bromonaphthalen-2-yl)ethynyl-triethylsilane has a molecular weight of 345.36 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)ethynyl-triethylsilane is sourced from PubChem (CID 10688869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).