tert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane

C13H26Br2OSi — CID 138984666

IUPACtert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C(Br)=C\CCCCBr
InChIInChI=1S/C13H26Br2OSi/c1-13(2,3)17(4,5)16-11-12(15)9-7-6-8-10-14/h9H,6-8,10-11H2,1-5H3/b12-9+
InChIKeyLEPZGSTZMJTYRN-FMIVXFBMSA-N
MW386.24 g/mol
LogP5.85
Rot. Bonds7

About tert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane

tert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane (PubChem CID 138984666) has the molecular formula C13H26Br2OSi and a molecular weight of 386.24 g/mol. Its IUPAC name is tert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane
PubChem CID138984666
Molecular FormulaC13H26Br2OSi
Molecular Weight386.24 g/mol
Exact Mass384.01
IUPAC Nametert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C(Br)=C\CCCCBr
InChIInChI=1S/C13H26Br2OSi/c1-13(2,3)17(4,5)16-11-12(15)9-7-6-8-10-14/h9H,6-8,10-11H2,1-5H3/b12-9+
InChIKeyLEPZGSTZMJTYRN-FMIVXFBMSA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.24
LogP ≤ 55.85
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane (CID 138984666) is tert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C(Br)=C\CCCCBr.
What is the InChIKey of tert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane?
The InChIKey is LEPZGSTZMJTYRN-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H26Br2OSi/c1-13(2,3)17(4,5)16-11-12(15)9-7-6-8-10-14/h9H,6-8,10-11H2,1-5H3/b12-9+.
What are the key properties of tert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane?
tert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane has a molecular weight of 386.24 g/mol, XLogP of 5.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-2,7-dibromohept-2-enoxy]-dimethylsilane is sourced from PubChem (CID 138984666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).