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

C11H21BrOSi — CID 19425328

IUPAC(6-bromo-3-ethylhex-4-yn-3-yl)oxy-trimethylsilane
SMILESCCC(C#CCBr)(CC)O[Si](C)(C)C
InChIInChI=1S/C11H21BrOSi/c1-6-11(7-2,9-8-10-12)13-14(3,4)5/h6-7,10H2,1-5H3
InChIKeyUVERRQPJNNYPQO-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.80
Rot. Bonds4

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

(6-bromo-3-ethylhex-4-yn-3-yl)oxy-trimethylsilane (PubChem CID 19425328) has the molecular formula C11H21BrOSi and a molecular weight of 277.28 g/mol. Its IUPAC name is (6-bromo-3-ethylhex-4-yn-3-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(6-bromo-3-ethylhex-4-yn-3-yl)oxy-trimethylsilane
PubChem CID19425328
Molecular FormulaC11H21BrOSi
Molecular Weight277.28 g/mol
Exact Mass276.05
IUPAC Name(6-bromo-3-ethylhex-4-yn-3-yl)oxy-trimethylsilane
SMILESCCC(C#CCBr)(CC)O[Si](C)(C)C
InChIInChI=1S/C11H21BrOSi/c1-6-11(7-2,9-8-10-12)13-14(3,4)5/h6-7,10H2,1-5H3
InChIKeyUVERRQPJNNYPQO-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.80
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-trimethylsilane?
The IUPAC name of (6-bromo-3-ethylhex-4-yn-3-yl)oxy-trimethylsilane (CID 19425328) is (6-bromo-3-ethylhex-4-yn-3-yl)oxy-trimethylsilane.
What is the SMILES notation for (6-bromo-3-ethylhex-4-yn-3-yl)oxy-trimethylsilane?
The canonical SMILES for (6-bromo-3-ethylhex-4-yn-3-yl)oxy-trimethylsilane is CCC(C#CCBr)(CC)O[Si](C)(C)C.
What is the InChIKey of (6-bromo-3-ethylhex-4-yn-3-yl)oxy-trimethylsilane?
The InChIKey is UVERRQPJNNYPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrOSi/c1-6-11(7-2,9-8-10-12)13-14(3,4)5/h6-7,10H2,1-5H3.
What are the key properties of (6-bromo-3-ethylhex-4-yn-3-yl)oxy-trimethylsilane?
(6-bromo-3-ethylhex-4-yn-3-yl)oxy-trimethylsilane has a molecular weight of 277.28 g/mol, XLogP of 3.80, 4 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-trimethylsilane is sourced from PubChem (CID 19425328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).