[(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate

C16H28O5Si — CID 134882602

IUPAC[(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC(=O)O[C@@H]1C=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C(C)=O
InChIInChI=1S/C16H28O5Si/c1-11(17)15-13(21-12(2)18)8-9-19-14(15)10-20-22(6,7)16(3,4)5/h8-9,13-15H,10H2,1-7H3/t13-,14-,15+/m1/s1
InChIKeyRNLMCFJTODPHNA-KFWWJZLASA-N
MW328.48 g/mol
LogP3.06
Rot. Bonds5

About [(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate

[(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate (PubChem CID 134882602) has the molecular formula C16H28O5Si and a molecular weight of 328.48 g/mol. Its IUPAC name is [(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate.

Molecular Properties

Compound Name[(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
PubChem CID134882602
Molecular FormulaC16H28O5Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Name[(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
SMILESCC(=O)O[C@@H]1C=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C(C)=O
InChIInChI=1S/C16H28O5Si/c1-11(17)15-13(21-12(2)18)8-9-19-14(15)10-20-22(6,7)16(3,4)5/h8-9,13-15H,10H2,1-7H3/t13-,14-,15+/m1/s1
InChIKeyRNLMCFJTODPHNA-KFWWJZLASA-N
XLogP3.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
The IUPAC name of [(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate (CID 134882602) is [(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate.
What is the SMILES notation for [(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
The canonical SMILES for [(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate is CC(=O)O[C@@H]1C=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C(C)=O.
What is the InChIKey of [(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
The InChIKey is RNLMCFJTODPHNA-KFWWJZLASA-N. The full InChI is InChI=1S/C16H28O5Si/c1-11(17)15-13(21-12(2)18)8-9-19-14(15)10-20-22(6,7)16(3,4)5/h8-9,13-15H,10H2,1-7H3/t13-,14-,15+/m1/s1.
What are the key properties of [(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate?
[(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate has a molecular weight of 328.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate is sourced from PubChem (CID 134882602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).