[(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane

C12H21BrOSi — CID 11208484

IUPAC[(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H](/C=C/C#CBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H21BrOSi/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h7,9,11H,1-6H3/b9-7+/t11-/m0/s1
InChIKeyVPEIVCLDOIYUCR-DJYGCBNOSA-N
MW289.29 g/mol
LogP4.31
Rot. Bonds3

About [(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane

[(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11208484) has the molecular formula C12H21BrOSi and a molecular weight of 289.29 g/mol. Its IUPAC name is [(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11208484
Molecular FormulaC12H21BrOSi
Molecular Weight289.29 g/mol
Exact Mass288.05
IUPAC Name[(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H](/C=C/C#CBr)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H21BrOSi/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h7,9,11H,1-6H3/b9-7+/t11-/m0/s1
InChIKeyVPEIVCLDOIYUCR-DJYGCBNOSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 54.31
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

tert-butyl-dimethyl-[(3S,4Z)-nona-4,8-dien-3-yl]oxysilane
CID 11379815
[(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane
CID 11482744
tert-butyl-dimethyl-[(E)-pent-3-en-2-yl]oxysilane
CID 13869188
tert-butyl-[(3Z,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
CID 53359090
[(3R,4E,6Z)-8-bromoocta-4,6-dien-3-yl]oxy-tert-butyl-dimethylsilane
CID 101492997
tert-butyl-[(E)-hex-4-en-1-yn-3-yl]oxy-dimethylsilane
CID 102341291
tert-butyl-[(E,3R)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane
CID 122377729
tert-butyl-[(Z,2R)-hept-3-en-2-yl]oxy-dimethylsilane
CID 134856373
tert-butyl-dimethyl-[(E)-5-methylhex-3-en-2-yl]oxysilane
CID 135033779
Tert-butyl-dimethyl-(2-methylhept-2-en-5-yn-4-yloxy)silane
CID 135076800
tert-butyl-[(Z)-hex-4-en-1-yn-3-yl]oxy-dimethylsilane
CID 135085788
tert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane
CID 138982535

Frequently Asked Questions

What is the IUPAC name of [(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane (CID 11208484) is [(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane is C[C@@H](/C=C/C#CBr)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is VPEIVCLDOIYUCR-DJYGCBNOSA-N. The full InChI is InChI=1S/C12H21BrOSi/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h7,9,11H,1-6H3/b9-7+/t11-/m0/s1.
What are the key properties of [(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane?
[(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 289.29 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2S)-6-bromohex-3-en-5-yn-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11208484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).