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

C13H24BrClOSi — CID 53330264

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

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

[(3Z)-4-bromo-3-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane (PubChem CID 53330264) has the molecular formula C13H24BrClOSi and a molecular weight of 339.78 g/mol. Its IUPAC name is [(3Z)-4-bromo-3-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3Z)-4-bromo-3-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane
PubChem CID53330264
Molecular FormulaC13H24BrClOSi
Molecular Weight339.78 g/mol
Exact Mass338.05
IUPAC Name[(3Z)-4-bromo-3-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane
SMILESC=CC/C(Br)=C(/Cl)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24BrClOSi/c1-7-8-11(14)12(15)9-10-16-17(5,6)13(2,3)4/h7H,1,8-10H2,2-6H3/b12-11-
InChIKeyCNJMZIAKMCVRTE-QXMHVHEDSA-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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Related Compounds

[(Z)-3-bromopent-3-enoxy]-tri(propan-2-yl)silane
CID 135060372
[(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane
CID 154712251
[(3E)-4-bromo-3-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane
CID 154712282
[(E)-4-bromopent-3-enoxy]-tert-butyl-dimethylsilane
CID 46896151
4-Bromopent-3-enoxy-tert-butyl-dimethylsilane
CID 75230657
[(E)-6-bromohex-3-enoxy]-tert-butyl-dimethylsilane
CID 10870085
[(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane
CID 53330262

Frequently Asked Questions

What is the IUPAC name of [(3Z)-4-bromo-3-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(3Z)-4-bromo-3-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane (CID 53330264) is [(3Z)-4-bromo-3-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3Z)-4-bromo-3-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(3Z)-4-bromo-3-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane is C=CC/C(Br)=C(/Cl)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3Z)-4-bromo-3-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane?
The InChIKey is CNJMZIAKMCVRTE-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H24BrClOSi/c1-7-8-11(14)12(15)9-10-16-17(5,6)13(2,3)4/h7H,1,8-10H2,2-6H3/b12-11-.
What are the key properties of [(3Z)-4-bromo-3-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane?
[(3Z)-4-bromo-3-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 [(3Z)-4-bromo-3-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 53330264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).