2-(3,4-dibromophenyl)ethynyl-triethylsilane

C14H18Br2Si — CID 24756184

IUPAC2-(3,4-dibromophenyl)ethynyl-triethylsilane
SMILESCC[Si](C#Cc1ccc(Br)c(Br)c1)(CC)CC
InChIInChI=1S/C14H18Br2Si/c1-4-17(5-2,6-3)10-9-12-7-8-13(15)14(16)11-12/h7-8,11H,4-6H2,1-3H3
InChIKeyRPBRKIBXBYYBLC-UHFFFAOYSA-N
MW374.19 g/mol
LogP5.61
Rot. Bonds3

About 2-(3,4-dibromophenyl)ethynyl-triethylsilane

2-(3,4-dibromophenyl)ethynyl-triethylsilane (PubChem CID 24756184) has the molecular formula C14H18Br2Si and a molecular weight of 374.19 g/mol. Its IUPAC name is 2-(3,4-dibromophenyl)ethynyl-triethylsilane.

Molecular Properties

Compound Name2-(3,4-dibromophenyl)ethynyl-triethylsilane
PubChem CID24756184
Molecular FormulaC14H18Br2Si
Molecular Weight374.19 g/mol
Exact Mass371.95
IUPAC Name2-(3,4-dibromophenyl)ethynyl-triethylsilane
SMILESCC[Si](C#Cc1ccc(Br)c(Br)c1)(CC)CC
InChIInChI=1S/C14H18Br2Si/c1-4-17(5-2,6-3)10-9-12-7-8-13(15)14(16)11-12/h7-8,11H,4-6H2,1-3H3
InChIKeyRPBRKIBXBYYBLC-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.19
LogP ≤ 55.61
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

1,2-Dibromo-4-methylbenzene
CID 34679
((3-Bromophenyl)ethynyl)trimethylsilane
CID 3683324
(2-Bromophenylethynyl)trimethylsilane
CID 4547398
(4-Bromophenylethynyl)trimethylsilane
CID 4226980
(4-Bromobenzyl)trimethylsilane
CID 5043463
1,2-Dibromo-4-ethynylbenzene
CID 9878353
[2-(3-Bromo-4-methylphenyl)ethynyl]trimethylsilane
CID 141652825
[2-(3-Bromo-4-fluorophenyl)ethynyl]trimethylsilane
CID 146155433
Benzene, 1-bromo-4-(1-hexynyl)-
CID 11310924
1-Hexyl-2-(4-bromophenyl)acetylene
CID 22002961
2-(4-Bromophenyl)ethynyl-dimethyl-phenylsilane
CID 140704455
3,4-Dibromostyrene
CID 17803427

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dibromophenyl)ethynyl-triethylsilane?
The IUPAC name of 2-(3,4-dibromophenyl)ethynyl-triethylsilane (CID 24756184) is 2-(3,4-dibromophenyl)ethynyl-triethylsilane.
What is the SMILES notation for 2-(3,4-dibromophenyl)ethynyl-triethylsilane?
The canonical SMILES for 2-(3,4-dibromophenyl)ethynyl-triethylsilane is CC[Si](C#Cc1ccc(Br)c(Br)c1)(CC)CC.
What is the InChIKey of 2-(3,4-dibromophenyl)ethynyl-triethylsilane?
The InChIKey is RPBRKIBXBYYBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2Si/c1-4-17(5-2,6-3)10-9-12-7-8-13(15)14(16)11-12/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 2-(3,4-dibromophenyl)ethynyl-triethylsilane?
2-(3,4-dibromophenyl)ethynyl-triethylsilane has a molecular weight of 374.19 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dibromophenyl)ethynyl-triethylsilane is sourced from PubChem (CID 24756184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).