[(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane

C24H33BrOSi — CID 11374218

IUPAC[(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane
SMILESCC/C(=C/[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CBr
InChIInChI=1S/C24H33BrOSi/c1-6-21(18-25)17-20(2)19-26-27(24(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-17,20H,6,18-19H2,1-5H3/b21-17-/t20-/m0/s1
InChIKeyPNWQENAQOLMUPZ-HOJYTFPLSA-N
MW445.52 g/mol
LogP5.93
Rot. Bonds8

About [(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane

[(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane (PubChem CID 11374218) has the molecular formula C24H33BrOSi and a molecular weight of 445.52 g/mol. Its IUPAC name is [(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane
PubChem CID11374218
Molecular FormulaC24H33BrOSi
Molecular Weight445.52 g/mol
Exact Mass444.15
IUPAC Name[(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane
SMILESCC/C(=C/[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CBr
InChIInChI=1S/C24H33BrOSi/c1-6-21(18-25)17-20(2)19-26-27(24(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-17,20H,6,18-19H2,1-5H3/b21-17-/t20-/m0/s1
InChIKeyPNWQENAQOLMUPZ-HOJYTFPLSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane
CID 23237174
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-1-en-1-one
CID 87903767
(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol
CID 134980373
(E,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-enoic acid
CID 16726667
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane
CID 150355480
zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;carbanide
CID 134886876
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
zinc;tert-butyl-[(2S)-2-methylpent-3-enoxy]-diphenylsilane;ethane
CID 134886533
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153

Frequently Asked Questions

What is the IUPAC name of [(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane (CID 11374218) is [(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane is CC/C(=C/[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CBr.
What is the InChIKey of [(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane?
The InChIKey is PNWQENAQOLMUPZ-HOJYTFPLSA-N. The full InChI is InChI=1S/C24H33BrOSi/c1-6-21(18-25)17-20(2)19-26-27(24(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-17,20H,6,18-19H2,1-5H3/b21-17-/t20-/m0/s1.
What are the key properties of [(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane?
[(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane has a molecular weight of 445.52 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 11374218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).