(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol

C13H28O3Si — CID 132933670

IUPAC(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol
SMILESC[C@H](C[C@@H](O)C[C@@H]1CO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-10(7-11(14)8-12-9-15-12)16-17(5,6)13(2,3)4/h10-12,14H,7-9H2,1-6H3/t10-,11-,12-/m1/s1
InChIKeyCUQOZPBJFOSDEX-IJLUTSLNSA-N
MW260.45 g/mol
LogP2.94
Rot. Bonds6

About (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol

(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol (PubChem CID 132933670) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol.

Molecular Properties

Compound Name(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol
PubChem CID132933670
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol
SMILESC[C@H](C[C@@H](O)C[C@@H]1CO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-10(7-11(14)8-12-9-15-12)16-17(5,6)13(2,3)4/h10-12,14H,7-9H2,1-6H3/t10-,11-,12-/m1/s1
InChIKeyCUQOZPBJFOSDEX-IJLUTSLNSA-N
XLogP2.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.94
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'}

Analyze (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol with MolForge

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Related Compounds

4-methyl-1-(oxiran-2-yl)pentan-2-ol
CID 102308160
(4R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxynon-1-ene-4,6-diol
CID 10935112
(E,2S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-7-methylnon-6-en-4-ol
CID 140658624
[(2S)-3-bromo-1-[(2S)-oxiran-2-yl]but-3-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 101143354
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 102285060
(2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol
CID 11747133
tert-butyl-(1-cyclopropylethoxy)-dimethylsilane
CID 22391705
(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one
CID 134892692
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-4-methylheptan-3-ol
CID 154722181
3-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 554645
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile
CID 11009699

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol?
The IUPAC name of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol (CID 132933670) is (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol.
What is the SMILES notation for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol?
The canonical SMILES for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol is C[C@H](C[C@@H](O)C[C@@H]1CO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol?
The InChIKey is CUQOZPBJFOSDEX-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-10(7-11(14)8-12-9-15-12)16-17(5,6)13(2,3)4/h10-12,14H,7-9H2,1-6H3/t10-,11-,12-/m1/s1.
What are the key properties of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol?
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol has a molecular weight of 260.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]pentan-2-ol is sourced from PubChem (CID 132933670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).