tert-butyl-[(2S,3R,4S,5S)-2-(2,2-dibromoethenyl)-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane

C15H28Br2O3Si — CID 57087263

IUPACtert-butyl-[(2S,3R,4S,5S)-2-(2,2-dibromoethenyl)-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane
SMILESCO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C(Br)Br)OC[C@@H]1C
InChIInChI=1S/C15H28Br2O3Si/c1-10-9-19-11(8-12(16)17)14(13(10)18-5)20-21(6,7)15(2,3)4/h8,10-11,13-14H,9H2,1-7H3/t10-,11-,13-,14-/m0/s1
InChIKeyYCZOKMJEHGYYRD-IMIFBBOLSA-N
MW444.28 g/mol
LogP5.06
Rot. Bonds4

About tert-butyl-[(2S,3R,4S,5S)-2-(2,2-dibromoethenyl)-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R,4S,5S)-2-(2,2-dibromoethenyl)-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane (PubChem CID 57087263) has the molecular formula C15H28Br2O3Si and a molecular weight of 444.28 g/mol. Its IUPAC name is tert-butyl-[(2S,3R,4S,5S)-2-(2,2-dibromoethenyl)-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R,4S,5S)-2-(2,2-dibromoethenyl)-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane
PubChem CID57087263
Molecular FormulaC15H28Br2O3Si
Molecular Weight444.28 g/mol
Exact Mass442.02
IUPAC Nametert-butyl-[(2S,3R,4S,5S)-2-(2,2-dibromoethenyl)-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane
SMILESCO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C(Br)Br)OC[C@@H]1C
InChIInChI=1S/C15H28Br2O3Si/c1-10-9-19-11(8-12(16)17)14(13(10)18-5)20-21(6,7)15(2,3)4/h8,10-11,13-14H,9H2,1-7H3/t10-,11-,13-,14-/m0/s1
InChIKeyYCZOKMJEHGYYRD-IMIFBBOLSA-N
XLogP5.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.28
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2R,3S)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane
CID 10573047
tert-butyl-[(2S,3R,5S)-2-ethenyl-5-methyloxan-3-yl]oxy-dimethylsilane
CID 22848918
tert-butyl-[(2S)-2-ethenyl-5-methyloxan-3-yl]oxy-dimethylsilane
CID 67885103
tert-butyl-[(2S,3R,5R)-2-ethenyl-5-methyloxan-3-yl]oxy-dimethylsilane
CID 67885378
tert-butyl-[(2S,3R)-2-ethenyl-2-methyloxan-3-yl]oxy-dimethylsilane
CID 15834253
tert-butyl-[(2S,3R)-2-(2,2-dibromoethenyl)oxan-3-yl]oxy-dimethylsilane
CID 101162211
[(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane
CID 102271922

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R,4S,5S)-2-(2,2-dibromoethenyl)-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R,4S,5S)-2-(2,2-dibromoethenyl)-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane (CID 57087263) is tert-butyl-[(2S,3R,4S,5S)-2-(2,2-dibromoethenyl)-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R,4S,5S)-2-(2,2-dibromoethenyl)-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R,4S,5S)-2-(2,2-dibromoethenyl)-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane is CO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C(Br)Br)OC[C@@H]1C.
What is the InChIKey of tert-butyl-[(2S,3R,4S,5S)-2-(2,2-dibromoethenyl)-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is YCZOKMJEHGYYRD-IMIFBBOLSA-N. The full InChI is InChI=1S/C15H28Br2O3Si/c1-10-9-19-11(8-12(16)17)14(13(10)18-5)20-21(6,7)15(2,3)4/h8,10-11,13-14H,9H2,1-7H3/t10-,11-,13-,14-/m0/s1.
What are the key properties of tert-butyl-[(2S,3R,4S,5S)-2-(2,2-dibromoethenyl)-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R,4S,5S)-2-(2,2-dibromoethenyl)-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 444.28 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R,4S,5S)-2-(2,2-dibromoethenyl)-4-methoxy-5-methyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 57087263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).