1-bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane

C15H31BrOSi — CID 91349302

IUPAC1-bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane
SMILESCCCCCC(C=CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31BrOSi/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4/h10,12,14H,7-9,11,13H2,1-6H3
InChIKeyWIDJSWAOMJJQDJ-UHFFFAOYSA-N
MW335.40 g/mol
LogP5.91
Rot. Bonds8

About 1-bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane

1-bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane (PubChem CID 91349302) has the molecular formula C15H31BrOSi and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane
PubChem CID91349302
Molecular FormulaC15H31BrOSi
Molecular Weight335.40 g/mol
Exact Mass334.13
IUPAC Name1-bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane
SMILESCCCCCC(C=CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H31BrOSi/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4/h10,12,14H,7-9,11,13H2,1-6H3
InChIKeyWIDJSWAOMJJQDJ-UHFFFAOYSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 55.91
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane (CID 91349302) is 1-bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane is CCCCCC(C=CCBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane?
The InChIKey is WIDJSWAOMJJQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31BrOSi/c1-7-8-9-11-14(12-10-13-16)17-18(5,6)15(2,3)4/h10,12,14H,7-9,11,13H2,1-6H3.
What are the key properties of 1-bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane?
1-bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane has a molecular weight of 335.40 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromonon-2-en-4-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 91349302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).