[(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane

C13H25BrOSi — CID 134987961

IUPAC[(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane
SMILESC=C(/C=C/CCBr)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25BrOSi/c1-12(9-7-8-10-14)11-15-16(5,6)13(2,3)4/h7,9H,1,8,10-11H2,2-6H3/b9-7+
InChIKeyJABMJXXSUMZSBI-VQHVLOKHSA-N
MW305.33 g/mol
LogP4.91
Rot. Bonds6

About [(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane

[(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane (PubChem CID 134987961) has the molecular formula C13H25BrOSi and a molecular weight of 305.33 g/mol. Its IUPAC name is [(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane
PubChem CID134987961
Molecular FormulaC13H25BrOSi
Molecular Weight305.33 g/mol
Exact Mass304.09
IUPAC Name[(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane
SMILESC=C(/C=C/CCBr)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25BrOSi/c1-12(9-7-8-10-14)11-15-16(5,6)13(2,3)4/h7,9H,1,8,10-11H2,2-6H3/b9-7+
InChIKeyJABMJXXSUMZSBI-VQHVLOKHSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.91
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2R,3Z)-4-bromo-2-methylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 101267055
[(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane
CID 101492997
[(2Z)-3-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 101855244
tert-butyl-dimethyl-[(E)-2-methylidenehept-3-enoxy]silane
CID 134916482
[(2R,3Z)-4-bromo-2,5-dimethylhexa-3,5-dienoxy]-tert-butyl-dimethylsilane
CID 135008495
[(3Z)-3-bromo-4-chloro-5-methylidenehepta-3,6-dienoxy]-tert-butyl-dimethylsilane
CID 154712251
[(1E,3E,5R,7Z)-1-bromonona-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane
CID 164671391
Tert-butyl-(4-ethenylhexa-3,5-dienoxy)-dimethylsilane
CID 102401330
tert-butyl-dimethyl-[(E)-2-methylidenehex-3-enoxy]silane
CID 11229887
[(Z)-5-bromo-2-methylpent-2-enoxy]-tert-butyl-dimethylsilane
CID 19349106
(5-Bromo-2-methylpent-2-enoxy)-tert-butyl-dimethylsilane
CID 57073142
[(2E,4E)-5-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 58453186

Frequently Asked Questions

What is the IUPAC name of [(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane (CID 134987961) is [(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane is C=C(/C=C/CCBr)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is JABMJXXSUMZSBI-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H25BrOSi/c1-12(9-7-8-10-14)11-15-16(5,6)13(2,3)4/h7,9H,1,8,10-11H2,2-6H3/b9-7+.
What are the key properties of [(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane?
[(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 305.33 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-bromo-2-methylidenehex-3-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 134987961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).