[(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane

C13H25BrO2Si — CID 102271922

IUPAC[(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1/C=C\Br
InChIInChI=1S/C13H25BrO2Si/c1-13(2,3)17(4,5)16-12-7-6-10-15-11(12)8-9-14/h8-9,11-12H,6-7,10H2,1-5H3/b9-8-/t11-,12+/m1/s1
InChIKeyZWKWVYWAVWUSQS-STNFYNBXSA-N
MW321.33 g/mol
LogP4.46
Rot. Bonds3

About [(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane

[(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102271922) has the molecular formula C13H25BrO2Si and a molecular weight of 321.33 g/mol. Its IUPAC name is [(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID102271922
Molecular FormulaC13H25BrO2Si
Molecular Weight321.33 g/mol
Exact Mass320.08
IUPAC Name[(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1/C=C\Br
InChIInChI=1S/C13H25BrO2Si/c1-13(2,3)17(4,5)16-12-7-6-10-15-11(12)8-9-14/h8-9,11-12H,6-7,10H2,1-5H3/b9-8-/t11-,12+/m1/s1
InChIKeyZWKWVYWAVWUSQS-STNFYNBXSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane (CID 102271922) is [(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1/C=C\Br.
What is the InChIKey of [(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is ZWKWVYWAVWUSQS-STNFYNBXSA-N. The full InChI is InChI=1S/C13H25BrO2Si/c1-13(2,3)17(4,5)16-12-7-6-10-15-11(12)8-9-14/h8-9,11-12H,6-7,10H2,1-5H3/b9-8-/t11-,12+/m1/s1.
What are the key properties of [(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 321.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-[(Z)-2-bromoethenyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102271922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).