ethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate

C9H12O5 — CID 14358753

IUPACethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate
SMILESCCOC(=O)CC1OC(O)C=CC1=O
InChIInChI=1S/C9H12O5/c1-2-13-9(12)5-7-6(10)3-4-8(11)14-7/h3-4,7-8,11H,2,5H2,1H3
InChIKeyVRDUNVVTTTXWIM-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.22
Rot. Bonds3

About ethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate

ethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate (PubChem CID 14358753) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is ethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate
PubChem CID14358753
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Nameethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate
SMILESCCOC(=O)CC1OC(O)C=CC1=O
InChIInChI=1S/C9H12O5/c1-2-13-9(12)5-7-6(10)3-4-8(11)14-7/h3-4,7-8,11H,2,5H2,1H3
InChIKeyVRDUNVVTTTXWIM-UHFFFAOYSA-N
XLogP-0.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-6-propyl-2H-pyran-5-one
CID 130030816
(2r)-6-Hydroxy-2-(ethoxycarbonylmethyl)-2h-pyran-3(6h)-one
CID 14358754
2-hydroxy-6-(2-oxopropyl)-2H-pyran-5-one
CID 164679523
methyl (2R)-2-(2-hydroxy-5-oxo-2H-pyran-6-yl)propanoate
CID 354569
6-Acetyloxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid
CID 67650848
diethyl carbonate;ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate
CID 70386319
ethyl 2-(2-ethoxycarbonyloxy-6-ethyl-5-oxo-2H-pyran-6-yl)acetate
CID 70386321
ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate;ethyl hydrogen carbonate
CID 70386325
(E)-5-[(6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]pent-2-enoic acid
CID 131964370
methyl (E)-5-[(6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]pent-2-enoate
CID 145375803
6-Ethoxy-5-oxocyclohexa-1,3-diene-1-carboxylic acid
CID 174450995
methyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)propanoate
CID 3624458

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate?
The IUPAC name of ethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate (CID 14358753) is ethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate.
What is the SMILES notation for ethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate?
The canonical SMILES for ethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate is CCOC(=O)CC1OC(O)C=CC1=O.
What is the InChIKey of ethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate?
The InChIKey is VRDUNVVTTTXWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-2-13-9(12)5-7-6(10)3-4-8(11)14-7/h3-4,7-8,11H,2,5H2,1H3.
What are the key properties of ethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate?
ethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate has a molecular weight of 200.19 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxy-5-oxo-2H-pyran-6-yl)acetate is sourced from PubChem (CID 14358753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).