ethyl 2-[(2R,6R)-6-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]acetate

C13H20O5 — CID 73055546

IUPACethyl 2-[(2R,6R)-6-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CC=C[C@@H](CC(=O)OCC)O1
InChIInChI=1S/C13H20O5/c1-3-16-12(14)8-10-6-5-7-11(18-10)9-13(15)17-4-2/h5-6,10-11H,3-4,7-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyVPOIKWCEDZNTJL-WDEREUQCSA-N
MW256.30 g/mol
LogP1.61
Rot. Bonds6

About ethyl 2-[(2R,6R)-6-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]acetate

ethyl 2-[(2R,6R)-6-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]acetate (PubChem CID 73055546) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 2-[(2R,6R)-6-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,6R)-6-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]acetate
PubChem CID73055546
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Nameethyl 2-[(2R,6R)-6-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]acetate
SMILESCCOC(=O)C[C@H]1CC=C[C@@H](CC(=O)OCC)O1
InChIInChI=1S/C13H20O5/c1-3-16-12(14)8-10-6-5-7-11(18-10)9-13(15)17-4-2/h5-6,10-11H,3-4,7-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyVPOIKWCEDZNTJL-WDEREUQCSA-N
XLogP1.61
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,6R)-6-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R,6R)-6-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]acetate (CID 73055546) is ethyl 2-[(2R,6R)-6-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,6R)-6-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,6R)-6-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]acetate is CCOC(=O)C[C@H]1CC=C[C@@H](CC(=O)OCC)O1.
What is the InChIKey of ethyl 2-[(2R,6R)-6-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]acetate?
The InChIKey is VPOIKWCEDZNTJL-WDEREUQCSA-N. The full InChI is InChI=1S/C13H20O5/c1-3-16-12(14)8-10-6-5-7-11(18-10)9-13(15)17-4-2/h5-6,10-11H,3-4,7-9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of ethyl 2-[(2R,6R)-6-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]acetate?
ethyl 2-[(2R,6R)-6-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]acetate has a molecular weight of 256.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,6R)-6-(2-ethoxy-2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]acetate is sourced from PubChem (CID 73055546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).