[(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane

C12H25BrOSi — CID 174411016

IUPAC[(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(/C=C/CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25BrOSi/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h7,9,11H,8,10H2,1-6H3/b9-7+
InChIKeyHJMKLXCUKFKOKB-VQHVLOKHSA-N
MW293.32 g/mol
LogP4.74
Rot. Bonds5

About [(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane

[(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 174411016) has the molecular formula C12H25BrOSi and a molecular weight of 293.32 g/mol. Its IUPAC name is [(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID174411016
Molecular FormulaC12H25BrOSi
Molecular Weight293.32 g/mol
Exact Mass292.09
IUPAC Name[(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(/C=C/CCBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25BrOSi/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h7,9,11H,8,10H2,1-6H3/b9-7+
InChIKeyHJMKLXCUKFKOKB-VQHVLOKHSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
CID 134856373
(Z,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-4-en-1-ol
CID 10634072
tert-butyl-dimethyl-[(E,2S)-5-pyrrolidin-1-ylpent-3-en-2-yl]oxysilane
CID 10445809
(9Z,12Z,15Z)-17-[tert-butyl(dimethyl)silyl]oxyoctadeca-9,12,15-trienoic acid
CID 100938118
[(2R)-7-bromoheptan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11023281
(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol
CID 66573505
tert-butyl-[(E,3S)-7-iodohept-4-en-3-yl]oxy-dimethylsilane
CID 87999521
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-2-one
CID 42643391
tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane
CID 54066938
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine
CID 11747325
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
CID 139263493

Frequently Asked Questions

What is the IUPAC name of [(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane (CID 174411016) is [(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane is CC(/C=C/CCBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is HJMKLXCUKFKOKB-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H25BrOSi/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h7,9,11H,8,10H2,1-6H3/b9-7+.
What are the key properties of [(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane?
[(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 293.32 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-bromohex-3-en-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 174411016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).