[(Z)-6-bromooct-5-enoxy]-tert-butyl-dimethylsilane

C14H29BrOSi — CID 174150557

IUPAC[(Z)-6-bromooct-5-enoxy]-tert-butyl-dimethylsilane
SMILESCC/C(Br)=C/CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29BrOSi/c1-7-13(15)11-9-8-10-12-16-17(5,6)14(2,3)4/h11H,7-10,12H2,1-6H3/b13-11-
InChIKeyJYEFJYWTTVQSBA-QBFSEMIESA-N
MW321.38 g/mol
LogP5.87
Rot. Bonds7

About [(Z)-6-bromooct-5-enoxy]-tert-butyl-dimethylsilane

[(Z)-6-bromooct-5-enoxy]-tert-butyl-dimethylsilane (PubChem CID 174150557) has the molecular formula C14H29BrOSi and a molecular weight of 321.38 g/mol. Its IUPAC name is [(Z)-6-bromooct-5-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(Z)-6-bromooct-5-enoxy]-tert-butyl-dimethylsilane
PubChem CID174150557
Molecular FormulaC14H29BrOSi
Molecular Weight321.38 g/mol
Exact Mass320.12
IUPAC Name[(Z)-6-bromooct-5-enoxy]-tert-butyl-dimethylsilane
SMILESCC/C(Br)=C/CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29BrOSi/c1-7-13(15)11-9-8-10-12-16-17(5,6)14(2,3)4/h11H,7-10,12H2,1-6H3/b13-11-
InChIKeyJYEFJYWTTVQSBA-QBFSEMIESA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-6-bromooct-5-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(Z)-6-bromooct-5-enoxy]-tert-butyl-dimethylsilane (CID 174150557) is [(Z)-6-bromooct-5-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(Z)-6-bromooct-5-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(Z)-6-bromooct-5-enoxy]-tert-butyl-dimethylsilane is CC/C(Br)=C/CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(Z)-6-bromooct-5-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is JYEFJYWTTVQSBA-QBFSEMIESA-N. The full InChI is InChI=1S/C14H29BrOSi/c1-7-13(15)11-9-8-10-12-16-17(5,6)14(2,3)4/h11H,7-10,12H2,1-6H3/b13-11-.
What are the key properties of [(Z)-6-bromooct-5-enoxy]-tert-butyl-dimethylsilane?
[(Z)-6-bromooct-5-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 321.38 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-6-bromooct-5-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 174150557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).