(8-bromo-5-methylnon-2-yn-4-yl)oxy-tert-butyl-dimethylsilane

C16H31BrOSi — CID 87193710

IUPAC(8-bromo-5-methylnon-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
SMILESCC#CC(O[Si](C)(C)C(C)(C)C)C(C)CCC(C)Br
InChIInChI=1S/C16H31BrOSi/c1-9-10-15(13(2)11-12-14(3)17)18-19(7,8)16(4,5)6/h13-15H,11-12H2,1-8H3
InChIKeyGXOBTEFPRWBNNA-UHFFFAOYSA-N
MW347.41 g/mol
LogP5.60
Rot. Bonds6

About (8-bromo-5-methylnon-2-yn-4-yl)oxy-tert-butyl-dimethylsilane

(8-bromo-5-methylnon-2-yn-4-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 87193710) has the molecular formula C16H31BrOSi and a molecular weight of 347.41 g/mol. Its IUPAC name is (8-bromo-5-methylnon-2-yn-4-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(8-bromo-5-methylnon-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
PubChem CID87193710
Molecular FormulaC16H31BrOSi
Molecular Weight347.41 g/mol
Exact Mass346.13
IUPAC Name(8-bromo-5-methylnon-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
SMILESCC#CC(O[Si](C)(C)C(C)(C)C)C(C)CCC(C)Br
InChIInChI=1S/C16H31BrOSi/c1-9-10-15(13(2)11-12-14(3)17)18-19(7,8)16(4,5)6/h13-15H,11-12H2,1-8H3
InChIKeyGXOBTEFPRWBNNA-UHFFFAOYSA-N
XLogP5.60
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 ≤ 55.60
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 (8-bromo-5-methylnon-2-yn-4-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (8-bromo-5-methylnon-2-yn-4-yl)oxy-tert-butyl-dimethylsilane (CID 87193710) is (8-bromo-5-methylnon-2-yn-4-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (8-bromo-5-methylnon-2-yn-4-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (8-bromo-5-methylnon-2-yn-4-yl)oxy-tert-butyl-dimethylsilane is CC#CC(O[Si](C)(C)C(C)(C)C)C(C)CCC(C)Br.
What is the InChIKey of (8-bromo-5-methylnon-2-yn-4-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is GXOBTEFPRWBNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31BrOSi/c1-9-10-15(13(2)11-12-14(3)17)18-19(7,8)16(4,5)6/h13-15H,11-12H2,1-8H3.
What are the key properties of (8-bromo-5-methylnon-2-yn-4-yl)oxy-tert-butyl-dimethylsilane?
(8-bromo-5-methylnon-2-yn-4-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 347.41 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-5-methylnon-2-yn-4-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 87193710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).