(1-bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane

C16H31BrOSi — CID 87193456

IUPAC(1-bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
SMILESCCCCC(C#CCBr)(CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31BrOSi/c1-8-10-12-16(9-2,13-11-14-17)18-19(6,7)15(3,4)5/h8-10,12,14H2,1-7H3
InChIKeyBPZDJDUCKGTJPM-UHFFFAOYSA-N
MW347.41 g/mol
LogP5.75
Rot. Bonds6

About (1-bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane

(1-bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 87193456) has the molecular formula C16H31BrOSi and a molecular weight of 347.41 g/mol. Its IUPAC name is (1-bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(1-bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
PubChem CID87193456
Molecular FormulaC16H31BrOSi
Molecular Weight347.41 g/mol
Exact Mass346.13
IUPAC Name(1-bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
SMILESCCCCC(C#CCBr)(CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H31BrOSi/c1-8-10-12-16(9-2,13-11-14-17)18-19(6,7)15(3,4)5/h8-10,12,14H2,1-7H3
InChIKeyBPZDJDUCKGTJPM-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 55.75
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 (1-bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (1-bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane (CID 87193456) is (1-bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (1-bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (1-bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane is CCCCC(C#CCBr)(CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1-bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is BPZDJDUCKGTJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31BrOSi/c1-8-10-12-16(9-2,13-11-14-17)18-19(6,7)15(3,4)5/h8-10,12,14H2,1-7H3.
What are the key properties of (1-bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane?
(1-bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 347.41 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-4-ethyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 87193456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).