[(4S)-1-bromonon-2-yn-4-yl]oxy-tert-butyl-dimethylsilane

C15H29BrOSi — CID 87753162

IUPAC[(4S)-1-bromonon-2-yn-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCCC[C@@H](C#CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29BrOSi/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4/h14H,7-9,11,13H2,1-6H3/t14-/m0/s1
InChIKeyFUQXWFOBGMFYTP-AWEZNQCLSA-N
MW333.39 g/mol
LogP5.36
Rot. Bonds6

About [(4S)-1-bromonon-2-yn-4-yl]oxy-tert-butyl-dimethylsilane

[(4S)-1-bromonon-2-yn-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 87753162) has the molecular formula C15H29BrOSi and a molecular weight of 333.39 g/mol. Its IUPAC name is [(4S)-1-bromonon-2-yn-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4S)-1-bromonon-2-yn-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID87753162
Molecular FormulaC15H29BrOSi
Molecular Weight333.39 g/mol
Exact Mass332.12
IUPAC Name[(4S)-1-bromonon-2-yn-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCCCCC[C@@H](C#CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29BrOSi/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4/h14H,7-9,11,13H2,1-6H3/t14-/m0/s1
InChIKeyFUQXWFOBGMFYTP-AWEZNQCLSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(4S)-1-bromonon-2-yn-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4S)-1-bromonon-2-yn-4-yl]oxy-tert-butyl-dimethylsilane (CID 87753162) is [(4S)-1-bromonon-2-yn-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4S)-1-bromonon-2-yn-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4S)-1-bromonon-2-yn-4-yl]oxy-tert-butyl-dimethylsilane is CCCCC[C@@H](C#CCBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(4S)-1-bromonon-2-yn-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is FUQXWFOBGMFYTP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H29BrOSi/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4/h14H,7-9,11,13H2,1-6H3/t14-/m0/s1.
What are the key properties of [(4S)-1-bromonon-2-yn-4-yl]oxy-tert-butyl-dimethylsilane?
[(4S)-1-bromonon-2-yn-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 333.39 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-1-bromonon-2-yn-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 87753162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).