[(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane

C13H24BrClOSi — CID 53330262

IUPAC[(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane
SMILESC=CC/C(Cl)=C(\Br)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24BrClOSi/c1-7-8-12(15)11(14)9-10-16-17(5,6)13(2,3)4/h7H,1,8-10H2,2-6H3/b12-11+
InChIKeyBZRXBCNLWDAPPA-VAWYXSNFSA-N
MW339.78 g/mol
LogP5.82
Rot. Bonds6

About [(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane

[(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 53330262) has the molecular formula C13H24BrClOSi and a molecular weight of 339.78 g/mol. Its IUPAC name is [(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane
PubChem CID53330262
Molecular FormulaC13H24BrClOSi
Molecular Weight339.78 g/mol
Exact Mass338.05
IUPAC Name[(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane
SMILESC=CC/C(Cl)=C(\Br)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24BrClOSi/c1-7-8-12(15)11(14)9-10-16-17(5,6)13(2,3)4/h7H,1,8-10H2,2-6H3/b12-11+
InChIKeyBZRXBCNLWDAPPA-VAWYXSNFSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.78
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 [(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane (CID 53330262) is [(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane is C=CC/C(Cl)=C(\Br)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is BZRXBCNLWDAPPA-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H24BrClOSi/c1-7-8-12(15)11(14)9-10-16-17(5,6)13(2,3)4/h7H,1,8-10H2,2-6H3/b12-11+.
What are the key properties of [(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane?
[(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane has a molecular weight of 339.78 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 53330262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).