(6-bromo-3-ethylhex-4-yn-3-yl)oxy-triethylsilane

C14H27BrOSi — CID 22027688

IUPAC(6-bromo-3-ethylhex-4-yn-3-yl)oxy-triethylsilane
SMILESCCC(C#CCBr)(CC)O[Si](CC)(CC)CC
InChIInChI=1S/C14H27BrOSi/c1-6-14(7-2,12-11-13-15)16-17(8-3,9-4)10-5/h6-10,13H2,1-5H3
InChIKeyLTGZLMXSBDRIES-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.97
Rot. Bonds7

About (6-bromo-3-ethylhex-4-yn-3-yl)oxy-triethylsilane

(6-bromo-3-ethylhex-4-yn-3-yl)oxy-triethylsilane (PubChem CID 22027688) has the molecular formula C14H27BrOSi and a molecular weight of 319.36 g/mol. Its IUPAC name is (6-bromo-3-ethylhex-4-yn-3-yl)oxy-triethylsilane.

Molecular Properties

Compound Name(6-bromo-3-ethylhex-4-yn-3-yl)oxy-triethylsilane
PubChem CID22027688
Molecular FormulaC14H27BrOSi
Molecular Weight319.36 g/mol
Exact Mass318.10
IUPAC Name(6-bromo-3-ethylhex-4-yn-3-yl)oxy-triethylsilane
SMILESCCC(C#CCBr)(CC)O[Si](CC)(CC)CC
InChIInChI=1S/C14H27BrOSi/c1-6-14(7-2,12-11-13-15)16-17(8-3,9-4)10-5/h6-10,13H2,1-5H3
InChIKeyLTGZLMXSBDRIES-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-ethylhex-4-yn-3-yl)oxy-triethylsilane?
The IUPAC name of (6-bromo-3-ethylhex-4-yn-3-yl)oxy-triethylsilane (CID 22027688) is (6-bromo-3-ethylhex-4-yn-3-yl)oxy-triethylsilane.
What is the SMILES notation for (6-bromo-3-ethylhex-4-yn-3-yl)oxy-triethylsilane?
The canonical SMILES for (6-bromo-3-ethylhex-4-yn-3-yl)oxy-triethylsilane is CCC(C#CCBr)(CC)O[Si](CC)(CC)CC.
What is the InChIKey of (6-bromo-3-ethylhex-4-yn-3-yl)oxy-triethylsilane?
The InChIKey is LTGZLMXSBDRIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrOSi/c1-6-14(7-2,12-11-13-15)16-17(8-3,9-4)10-5/h6-10,13H2,1-5H3.
What are the key properties of (6-bromo-3-ethylhex-4-yn-3-yl)oxy-triethylsilane?
(6-bromo-3-ethylhex-4-yn-3-yl)oxy-triethylsilane has a molecular weight of 319.36 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-ethylhex-4-yn-3-yl)oxy-triethylsilane is sourced from PubChem (CID 22027688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).