[(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane

C14H29BrOSi — CID 135007678

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

About [(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane

[(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane (PubChem CID 135007678) has the molecular formula C14H29BrOSi and a molecular weight of 321.38 g/mol. Its IUPAC name is [(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane
PubChem CID135007678
Molecular FormulaC14H29BrOSi
Molecular Weight321.38 g/mol
Exact Mass320.12
IUPAC Name[(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane
SMILESC/C(Br)=C\CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H29BrOSi/c1-13(15)11-9-7-8-10-12-16-17(5,6)14(2,3)4/h11H,7-10,12H2,1-6H3/b13-11+
InChIKeySMOGQGYOLSGAQX-ACCUITESSA-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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Related Compounds

7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-1-ol
CID 74029317
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
10-[tert-butyl(dimethyl)silyl]oxy-1,1-dideuteriodecan-1-ol
CID 102212924
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515

Frequently Asked Questions

What is the IUPAC name of [(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane (CID 135007678) is [(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane is C/C(Br)=C\CCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is SMOGQGYOLSGAQX-ACCUITESSA-N. The full InChI is InChI=1S/C14H29BrOSi/c1-13(15)11-9-7-8-10-12-16-17(5,6)14(2,3)4/h11H,7-10,12H2,1-6H3/b13-11+.
What are the key properties of [(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane?
[(E)-7-bromooct-6-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 [(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 135007678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).