ethyl 2-[(3-oxo-4H-pyran-2-yl)methoxy]acetate

C10H14O5 — CID 67692507

IUPACethyl 2-[(3-oxo-4H-pyran-2-yl)methoxy]acetate
SMILESCCOC(=O)COCC1OC=CCC1=O
InChIInChI=1S/C10H14O5/c1-2-14-10(12)7-13-6-9-8(11)4-3-5-15-9/h3,5,9H,2,4,6-7H2,1H3
InChIKeyYFGLGTIBTYIPCP-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.44
Rot. Bonds5

About ethyl 2-[(3-oxo-4H-pyran-2-yl)methoxy]acetate

ethyl 2-[(3-oxo-4H-pyran-2-yl)methoxy]acetate (PubChem CID 67692507) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is ethyl 2-[(3-oxo-4H-pyran-2-yl)methoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-oxo-4H-pyran-2-yl)methoxy]acetate
PubChem CID67692507
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-[(3-oxo-4H-pyran-2-yl)methoxy]acetate
SMILESCCOC(=O)COCC1OC=CCC1=O
InChIInChI=1S/C10H14O5/c1-2-14-10(12)7-13-6-9-8(11)4-3-5-15-9/h3,5,9H,2,4,6-7H2,1H3
InChIKeyYFGLGTIBTYIPCP-UHFFFAOYSA-N
XLogP0.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-oxo-4H-pyran-2-yl)methoxy]acetate?
The IUPAC name of ethyl 2-[(3-oxo-4H-pyran-2-yl)methoxy]acetate (CID 67692507) is ethyl 2-[(3-oxo-4H-pyran-2-yl)methoxy]acetate.
What is the SMILES notation for ethyl 2-[(3-oxo-4H-pyran-2-yl)methoxy]acetate?
The canonical SMILES for ethyl 2-[(3-oxo-4H-pyran-2-yl)methoxy]acetate is CCOC(=O)COCC1OC=CCC1=O.
What is the InChIKey of ethyl 2-[(3-oxo-4H-pyran-2-yl)methoxy]acetate?
The InChIKey is YFGLGTIBTYIPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-2-14-10(12)7-13-6-9-8(11)4-3-5-15-9/h3,5,9H,2,4,6-7H2,1H3.
What are the key properties of ethyl 2-[(3-oxo-4H-pyran-2-yl)methoxy]acetate?
ethyl 2-[(3-oxo-4H-pyran-2-yl)methoxy]acetate has a molecular weight of 214.22 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-oxo-4H-pyran-2-yl)methoxy]acetate is sourced from PubChem (CID 67692507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).