[(2R,3R)-3-tert-butyl-2-phenyloxetan-3-yl]oxy-trimethylsilane

C16H26O2Si — CID 10967869

IUPAC[(2R,3R)-3-tert-butyl-2-phenyloxetan-3-yl]oxy-trimethylsilane
SMILESCC(C)(C)[C@@]1(O[Si](C)(C)C)CO[C@@H]1c1ccccc1
InChIInChI=1S/C16H26O2Si/c1-15(2,3)16(18-19(4,5)6)12-17-14(16)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3/t14-,16-/m1/s1
InChIKeyPNJPPZSUOCHWPT-GDBMZVCRSA-N
MW278.47 g/mol
LogP4.39
Rot. Bonds3

About [(2R,3R)-3-tert-butyl-2-phenyloxetan-3-yl]oxy-trimethylsilane

[(2R,3R)-3-tert-butyl-2-phenyloxetan-3-yl]oxy-trimethylsilane (PubChem CID 10967869) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is [(2R,3R)-3-tert-butyl-2-phenyloxetan-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R,3R)-3-tert-butyl-2-phenyloxetan-3-yl]oxy-trimethylsilane
PubChem CID10967869
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name[(2R,3R)-3-tert-butyl-2-phenyloxetan-3-yl]oxy-trimethylsilane
SMILESCC(C)(C)[C@@]1(O[Si](C)(C)C)CO[C@@H]1c1ccccc1
InChIInChI=1S/C16H26O2Si/c1-15(2,3)16(18-19(4,5)6)12-17-14(16)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3/t14-,16-/m1/s1
InChIKeyPNJPPZSUOCHWPT-GDBMZVCRSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.39
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,3R)-3-tert-butyl-2-phenyloxetan-3-yl]oxy-trimethylsilane?
The IUPAC name of [(2R,3R)-3-tert-butyl-2-phenyloxetan-3-yl]oxy-trimethylsilane (CID 10967869) is [(2R,3R)-3-tert-butyl-2-phenyloxetan-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R,3R)-3-tert-butyl-2-phenyloxetan-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R,3R)-3-tert-butyl-2-phenyloxetan-3-yl]oxy-trimethylsilane is CC(C)(C)[C@@]1(O[Si](C)(C)C)CO[C@@H]1c1ccccc1.
What is the InChIKey of [(2R,3R)-3-tert-butyl-2-phenyloxetan-3-yl]oxy-trimethylsilane?
The InChIKey is PNJPPZSUOCHWPT-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-15(2,3)16(18-19(4,5)6)12-17-14(16)13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3/t14-,16-/m1/s1.
What are the key properties of [(2R,3R)-3-tert-butyl-2-phenyloxetan-3-yl]oxy-trimethylsilane?
[(2R,3R)-3-tert-butyl-2-phenyloxetan-3-yl]oxy-trimethylsilane has a molecular weight of 278.47 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-tert-butyl-2-phenyloxetan-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 10967869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).