[(2R,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methanol

C13H28O3Si — CID 134970619

IUPAC[(2R,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methanol
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@H](C)[C@@H]1O[C@@H]1CO
InChIInChI=1S/C13H28O3Si/c1-6-17(7-2,8-3)16-11(5)10(4)13-12(9-14)15-13/h10-14H,6-9H2,1-5H3/t10-,11-,12+,13-/m0/s1
InChIKeyWNUHXJUQDGYCBF-RVMXOQNASA-N
MW260.45 g/mol
LogP2.79
Rot. Bonds8

About [(2R,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methanol

[(2R,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methanol (PubChem CID 134970619) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is [(2R,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methanol
PubChem CID134970619
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name[(2R,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methanol
SMILESCC[Si](CC)(CC)O[C@@H](C)[C@H](C)[C@@H]1O[C@@H]1CO
InChIInChI=1S/C13H28O3Si/c1-6-17(7-2,8-3)16-11(5)10(4)13-12(9-14)15-13/h10-14H,6-9H2,1-5H3/t10-,11-,12+,13-/m0/s1
InChIKeyWNUHXJUQDGYCBF-RVMXOQNASA-N
XLogP2.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methanol (CID 134970619) is [(2R,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methanol is CC[Si](CC)(CC)O[C@@H](C)[C@H](C)[C@@H]1O[C@@H]1CO.
What is the InChIKey of [(2R,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methanol?
The InChIKey is WNUHXJUQDGYCBF-RVMXOQNASA-N. The full InChI is InChI=1S/C13H28O3Si/c1-6-17(7-2,8-3)16-11(5)10(4)13-12(9-14)15-13/h10-14H,6-9H2,1-5H3/t10-,11-,12+,13-/m0/s1.
What are the key properties of [(2R,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methanol?
[(2R,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methanol has a molecular weight of 260.45 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methanol is sourced from PubChem (CID 134970619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).