4-bromobuta-2,3-dienoxy-tert-butyl-dimethylsilane

C10H19BrOSi — CID 46196608

IUPAC4-bromobuta-2,3-dienoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC=C=CBr
InChIInChI=1S/C10H19BrOSi/c1-10(2,3)13(4,5)12-9-7-6-8-11/h7-8H,9H2,1-5H3
InChIKeyRSTRXMGDYAFIRT-UHFFFAOYSA-N
MW263.25 g/mol
LogP4.07
Rot. Bonds3

About 4-bromobuta-2,3-dienoxy-tert-butyl-dimethylsilane

4-bromobuta-2,3-dienoxy-tert-butyl-dimethylsilane (PubChem CID 46196608) has the molecular formula C10H19BrOSi and a molecular weight of 263.25 g/mol. Its IUPAC name is 4-bromobuta-2,3-dienoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name4-bromobuta-2,3-dienoxy-tert-butyl-dimethylsilane
PubChem CID46196608
Molecular FormulaC10H19BrOSi
Molecular Weight263.25 g/mol
Exact Mass262.04
IUPAC Name4-bromobuta-2,3-dienoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC=C=CBr
InChIInChI=1S/C10H19BrOSi/c1-10(2,3)13(4,5)12-9-7-6-8-11/h7-8H,9H2,1-5H3
InChIKeyRSTRXMGDYAFIRT-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromobuta-2,3-dienoxy-tert-butyl-dimethylsilane?
The IUPAC name of 4-bromobuta-2,3-dienoxy-tert-butyl-dimethylsilane (CID 46196608) is 4-bromobuta-2,3-dienoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 4-bromobuta-2,3-dienoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 4-bromobuta-2,3-dienoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC=C=CBr.
What is the InChIKey of 4-bromobuta-2,3-dienoxy-tert-butyl-dimethylsilane?
The InChIKey is RSTRXMGDYAFIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrOSi/c1-10(2,3)13(4,5)12-9-7-6-8-11/h7-8H,9H2,1-5H3.
What are the key properties of 4-bromobuta-2,3-dienoxy-tert-butyl-dimethylsilane?
4-bromobuta-2,3-dienoxy-tert-butyl-dimethylsilane has a molecular weight of 263.25 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobuta-2,3-dienoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 46196608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).