tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane

C22H28Br2OSi — CID 59466620

IUPACtert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane
SMILESC[C@H](C=C(Br)Br)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28Br2OSi/c1-17(16-21(23)24)18(2)25-26(22(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18H,1-5H3/t17-,18-/m1/s1
InChIKeyJOZHQNFMKIVKCN-QZTJIDSGSA-N
MW496.36 g/mol
LogP6.22
Rot. Bonds6

About tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane

tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane (PubChem CID 59466620) has the molecular formula C22H28Br2OSi and a molecular weight of 496.36 g/mol. Its IUPAC name is tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane
PubChem CID59466620
Molecular FormulaC22H28Br2OSi
Molecular Weight496.36 g/mol
Exact Mass494.03
IUPAC Nametert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane
SMILESC[C@H](C=C(Br)Br)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28Br2OSi/c1-17(16-21(23)24)18(2)25-26(22(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18H,1-5H3/t17-,18-/m1/s1
InChIKeyJOZHQNFMKIVKCN-QZTJIDSGSA-N
XLogP6.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.36
LogP ≤ 56.22
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

2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]propane-1,3-diol
CID 102368876
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
(E,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-en-1-ol
CID 134941259
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
[(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane
CID 23237174
(3R,4S)-1,1,3-tribromo-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-4-ol
CID 11828260
ethyl (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-2-enoate
CID 11153695
tert-butyl-[(2Z,7Z)-nona-2,7-dien-5-yl]oxy-diphenylsilane
CID 58139640
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
tert-butyl-[(2R,3S)-3-methoxy-4-phenylbutan-2-yl]oxy-diphenylsilane
CID 134831581
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
CID 175160919
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane (CID 59466620) is tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane is C[C@H](C=C(Br)Br)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane?
The InChIKey is JOZHQNFMKIVKCN-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H28Br2OSi/c1-17(16-21(23)24)18(2)25-26(22(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18H,1-5H3/t17-,18-/m1/s1.
What are the key properties of tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane?
tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane has a molecular weight of 496.36 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R)-5,5-dibromo-3-methylpent-4-en-2-yl]oxy-diphenylsilane is sourced from PubChem (CID 59466620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).