[(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane

C17H37BrO2Si2 — CID 10811490

IUPAC[(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C(/Br)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H37BrO2Si2/c1-16(2,3)21(7,8)19-13-11-15(18)12-14-20-22(9,10)17(4,5)6/h11H,12-14H2,1-10H3/b15-11+
InChIKeyLCAAVSPIRKIHSH-RVDMUPIBSA-N
MW409.56 g/mol
LogP6.70
Rot. Bonds7

About [(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane

[(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 10811490) has the molecular formula C17H37BrO2Si2 and a molecular weight of 409.56 g/mol. Its IUPAC name is [(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane
PubChem CID10811490
Molecular FormulaC17H37BrO2Si2
Molecular Weight409.56 g/mol
Exact Mass408.15
IUPAC Name[(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C(/Br)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H37BrO2Si2/c1-16(2,3)21(7,8)19-13-11-15(18)12-14-20-22(9,10)17(4,5)6/h11H,12-14H2,1-10H3/b15-11+
InChIKeyLCAAVSPIRKIHSH-RVDMUPIBSA-N
XLogP6.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.56
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-4-en-3-one
CID 135080098
[(3E)-3-bromo-4-chlorohepta-3,6-dienoxy]-tert-butyl-dimethylsilane
CID 53330262
[(E)-7-bromooct-6-enoxy]-tert-butyl-dimethylsilane
CID 135007678
tert-butyl-dimethyl-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)silane
CID 85403077
N-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]hydroxylamine
CID 171665671
5-[tert-butyl(dimethyl)silyl]oxypentane-2,3-dione
CID 59850474
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
tert-butyl-[(E)-4-fluoropent-3-enoxy]-dimethylsilane
CID 59072765
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 175251945
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197

Frequently Asked Questions

What is the IUPAC name of [(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane (CID 10811490) is [(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C=C(/Br)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is LCAAVSPIRKIHSH-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H37BrO2Si2/c1-16(2,3)21(7,8)19-13-11-15(18)12-14-20-22(9,10)17(4,5)6/h11H,12-14H2,1-10H3/b15-11+.
What are the key properties of [(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane?
[(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 409.56 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10811490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).