[(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane

C13H27BrOSi — CID 138984605

IUPAC[(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane
SMILESCCCC/C=C(/Br)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27BrOSi/c1-7-8-9-10-12(14)11-15-16(5,6)13(2,3)4/h10H,7-9,11H2,1-6H3/b12-10+
InChIKeyTZEOLWGRPGAJRW-ZRDIBKRKSA-N
MW307.35 g/mol
LogP5.48
Rot. Bonds6

About [(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane

[(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 138984605) has the molecular formula C13H27BrOSi and a molecular weight of 307.35 g/mol. Its IUPAC name is [(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane
PubChem CID138984605
Molecular FormulaC13H27BrOSi
Molecular Weight307.35 g/mol
Exact Mass306.10
IUPAC Name[(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane
SMILESCCCC/C=C(/Br)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27BrOSi/c1-7-8-9-10-12(14)11-15-16(5,6)13(2,3)4/h10H,7-9,11H2,1-6H3/b12-10+
InChIKeyTZEOLWGRPGAJRW-ZRDIBKRKSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.35
LogP ≤ 55.48
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

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cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
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tert-butyl-[(E)-hex-2-enoxy]-dimethylsilane
CID 10987644
tert-butyl-dimethyl-[(2E,6E)-6-methylocta-2,6-dienoxy]silane
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tert-butyl-dimethyl-[(E)-oct-2-enoxy]silane
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[(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane
CID 11780406
tert-butyl-[(2E)-9,9-dibromonona-2,8-dienoxy]-dimethylsilane
CID 46218442
[(2E,4Z)-4-bromoundeca-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 101267050
[(2Z)-3-bromo-4-methylpenta-2,4-dienoxy]-tert-butyl-dimethylsilane
CID 101855244
[(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane
CID 135007678
[(2E,5S)-7-bromo-5-methylocta-2,7-dienoxy]-tert-butyl-dimethylsilane
CID 135038344

Frequently Asked Questions

What is the IUPAC name of [(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane (CID 138984605) is [(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane is CCCC/C=C(/Br)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is TZEOLWGRPGAJRW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H27BrOSi/c1-7-8-9-10-12(14)11-15-16(5,6)13(2,3)4/h10H,7-9,11H2,1-6H3/b12-10+.
What are the key properties of [(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane?
[(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 307.35 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-bromohept-2-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 138984605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).