[(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane

C13H29BrOSi2 — CID 101145259

IUPAC[(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C(\Br)C[Si](C)(C)C
InChIInChI=1S/C13H29BrOSi2/c1-13(2,3)17(7,8)15-10-9-12(14)11-16(4,5)6/h9H,10-11H2,1-8H3/b12-9-
InChIKeyAQSOLXWFKCVRQJ-XFXZXTDPSA-N
MW337.45 g/mol
LogP5.63
Rot. Bonds5

About [(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane

[(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane (PubChem CID 101145259) has the molecular formula C13H29BrOSi2 and a molecular weight of 337.45 g/mol. Its IUPAC name is [(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane
PubChem CID101145259
Molecular FormulaC13H29BrOSi2
Molecular Weight337.45 g/mol
Exact Mass336.09
IUPAC Name[(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C(\Br)C[Si](C)(C)C
InChIInChI=1S/C13H29BrOSi2/c1-13(2,3)17(7,8)15-10-9-12(14)11-16(4,5)6/h9H,10-11H2,1-8H3/b12-9-
InChIKeyAQSOLXWFKCVRQJ-XFXZXTDPSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.45
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-(4-bromobut-2-enyloxy)(tert-butyl)dimethylsilane
CID 10999946
[(E)-4-bromobut-2-enoxy]-tert-butyl-dimethylsilane
CID 11254102
[(2-Bromoprop-2-en-1-yl)oxy](tert-butyl)dimethylsilane
CID 11265217
[(E)-4-bromo-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane
CID 11161775
[(Z)-4-bromo-3-iodobut-2-enoxy]-tert-butyl-dimethylsilane
CID 10000500
tert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane
CID 10981777
[(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane
CID 11482744
[(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane
CID 11780406
[(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane
CID 134831084
(E)-((2-bromohex-2-en-1-yl)oxy)(tert-butyl)dimethylsilane
CID 139030430
tert-butyl-dimethyl-[(E)-4-trimethylsilylbut-2-enoxy]silane
CID 176426677
((4-Bromo-3-methylbut-2-en-1-yl)oxy)(tert-butyl)dimethylsilane
CID 11000419

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane?
The IUPAC name of [(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane (CID 101145259) is [(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane.
What is the SMILES notation for [(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane?
The canonical SMILES for [(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane is CC(C)(C)[Si](C)(C)OC/C=C(\Br)C[Si](C)(C)C.
What is the InChIKey of [(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane?
The InChIKey is AQSOLXWFKCVRQJ-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H29BrOSi2/c1-13(2,3)17(7,8)15-10-9-12(14)11-16(4,5)6/h9H,10-11H2,1-8H3/b12-9-.
What are the key properties of [(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane?
[(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane has a molecular weight of 337.45 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane is sourced from PubChem (CID 101145259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).