[(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane

C11H19BrOSi — CID 11482744

IUPAC[(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C#CBr
InChIInChI=1S/C11H19BrOSi/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h6,8H,10H2,1-5H3/b8-6+
InChIKeyIFWJFIRCQRGTFH-SOFGYWHQSA-N
MW275.26 g/mol
LogP3.92
Rot. Bonds3

About [(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane

[(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane (PubChem CID 11482744) has the molecular formula C11H19BrOSi and a molecular weight of 275.26 g/mol. Its IUPAC name is [(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane
PubChem CID11482744
Molecular FormulaC11H19BrOSi
Molecular Weight275.26 g/mol
Exact Mass274.04
IUPAC Name[(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C#CBr
InChIInChI=1S/C11H19BrOSi/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h6,8H,10H2,1-5H3/b8-6+
InChIKeyIFWJFIRCQRGTFH-SOFGYWHQSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-Crotyl alcohol, tert-butyldimethylsilyl ether
CID 11217677
(Z)-(4-bromobut-2-enyloxy)(tert-butyl)dimethylsilane
CID 10999946
tert-butyl(dimethyl)[(2E)-2-penten-4-ynyloxy]silane
CID 10845580
[(E)-4-bromobut-2-enoxy]-tert-butyl-dimethylsilane
CID 11254102
1-Dimethylisopropylsilyloxypent-2-en-4-yne
CID 531286
1-Tripropylsilyloxypent-2-en-4-yne
CID 531304
cis-Crotyl alcohol, tert-butyldimethylsilyl ether
CID 91697255
[(E)-4-bromo-2-methylbut-2-enoxy]-tert-butyl-dimethylsilane
CID 11161775
[(Z)-3-bromoprop-2-enoxy]-tert-butyl-dimethylsilane
CID 132477920
tert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane
CID 10981777
[(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

Frequently Asked Questions

What is the IUPAC name of [(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane (CID 11482744) is [(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC/C=C/C#CBr.
What is the InChIKey of [(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane?
The InChIKey is IFWJFIRCQRGTFH-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H19BrOSi/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h6,8H,10H2,1-5H3/b8-6+.
What are the key properties of [(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane?
[(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane has a molecular weight of 275.26 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11482744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).