(1-bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane

C15H29BrOSi — CID 87193220

IUPAC(1-bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
SMILESCCCC(C)C(C#CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29BrOSi/c1-8-10-13(2)14(11-9-12-16)17-18(6,7)15(3,4)5/h13-14H,8,10,12H2,1-7H3
InChIKeyGVNWAZUDAUWBJI-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.21
Rot. Bonds5

About (1-bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane

(1-bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane (PubChem CID 87193220) has the molecular formula C15H29BrOSi and a molecular weight of 333.39 g/mol. Its IUPAC name is (1-bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(1-bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
PubChem CID87193220
Molecular FormulaC15H29BrOSi
Molecular Weight333.39 g/mol
Exact Mass332.12
IUPAC Name(1-bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane
SMILESCCCC(C)C(C#CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29BrOSi/c1-8-10-13(2)14(11-9-12-16)17-18(6,7)15(3,4)5/h13-14H,8,10,12H2,1-7H3
InChIKeyGVNWAZUDAUWBJI-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.21
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-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane?
The IUPAC name of (1-bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane (CID 87193220) is (1-bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (1-bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane?
The canonical SMILES for (1-bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane is CCCC(C)C(C#CCBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1-bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane?
The InChIKey is GVNWAZUDAUWBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrOSi/c1-8-10-13(2)14(11-9-12-16)17-18(6,7)15(3,4)5/h13-14H,8,10,12H2,1-7H3.
What are the key properties of (1-bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane?
(1-bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane has a molecular weight of 333.39 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-5-methyloct-2-yn-4-yl)oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 87193220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).