[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate

C14H24O5Si — CID 11722354

IUPAC[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate
SMILESCC(=O)OC1=CC(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H24O5Si/c1-10(15)18-11-7-12(19-13(16)8-11)9-17-20(5,6)14(2,3)4/h8,12H,7,9H2,1-6H3/t12-/m0/s1
InChIKeyBWXNAFHIRCTYBV-LBPRGKRZSA-N
MW300.43 g/mol
LogP2.77
Rot. Bonds4

About [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate

[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate (PubChem CID 11722354) has the molecular formula C14H24O5Si and a molecular weight of 300.43 g/mol. Its IUPAC name is [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate.

Molecular Properties

Compound Name[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate
PubChem CID11722354
Molecular FormulaC14H24O5Si
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate
SMILESCC(=O)OC1=CC(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H24O5Si/c1-10(15)18-11-7-12(19-13(16)8-11)9-17-20(5,6)14(2,3)4/h8,12H,7,9H2,1-6H3/t12-/m0/s1
InChIKeyBWXNAFHIRCTYBV-LBPRGKRZSA-N
XLogP2.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.77
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)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate?
The IUPAC name of [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate (CID 11722354) is [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate.
What is the SMILES notation for [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate?
The canonical SMILES for [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate is CC(=O)OC1=CC(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate?
The InChIKey is BWXNAFHIRCTYBV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24O5Si/c1-10(15)18-11-7-12(19-13(16)8-11)9-17-20(5,6)14(2,3)4/h8,12H,7,9H2,1-6H3/t12-/m0/s1.
What are the key properties of [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate?
[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate has a molecular weight of 300.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] acetate is sourced from PubChem (CID 11722354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).