tert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane

C13H27IO2Si — CID 102051822

IUPACtert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane
SMILESCC[C@H](C[C@H]1O[C@@H]1CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27IO2Si/c1-7-10(8-11-12(9-14)15-11)16-17(5,6)13(2,3)4/h10-12H,7-9H2,1-6H3/t10-,11-,12-/m1/s1
InChIKeyFCSQLBOJXGJDBV-IJLUTSLNSA-N
MW370.35 g/mol
LogP4.38
Rot. Bonds6

About tert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane

tert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane (PubChem CID 102051822) has the molecular formula C13H27IO2Si and a molecular weight of 370.35 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane
PubChem CID102051822
Molecular FormulaC13H27IO2Si
Molecular Weight370.35 g/mol
Exact Mass370.08
IUPAC Nametert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane
SMILESCC[C@H](C[C@H]1O[C@@H]1CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27IO2Si/c1-7-10(8-11-12(9-14)15-11)16-17(5,6)13(2,3)4/h10-12H,7-9H2,1-6H3/t10-,11-,12-/m1/s1
InChIKeyFCSQLBOJXGJDBV-IJLUTSLNSA-N
XLogP4.38
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane (CID 102051822) is tert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane is CC[C@H](C[C@H]1O[C@@H]1CI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane?
The InChIKey is FCSQLBOJXGJDBV-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H27IO2Si/c1-7-10(8-11-12(9-14)15-11)16-17(5,6)13(2,3)4/h10-12H,7-9H2,1-6H3/t10-,11-,12-/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane has a molecular weight of 370.35 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-[(2R,3S)-3-(iodomethyl)oxiran-2-yl]butan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 102051822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).