ethyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate

C10H12O5 — CID 540037

IUPACethyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate
SMILESCCOC(=O)c1c(OC)cc(=O)oc1C
InChIInChI=1S/C10H12O5/c1-4-14-10(12)9-6(2)15-8(11)5-7(9)13-3/h5H,4H2,1-3H3
InChIKeyOEDXYLUZISHCKU-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.13
Rot. Bonds3

About ethyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate

ethyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate (PubChem CID 540037) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is ethyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate
PubChem CID540037
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Nameethyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate
SMILESCCOC(=O)c1c(OC)cc(=O)oc1C
InChIInChI=1S/C10H12O5/c1-4-14-10(12)9-6(2)15-8(11)5-7(9)13-3/h5H,4H2,1-3H3
InChIKeyOEDXYLUZISHCKU-UHFFFAOYSA-N
XLogP1.13
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
CID 170485
ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
CID 76918
Nectriapyrone
CID 5358550
Diethyl 2-[(5-methoxy-4-oxopyran-2-yl)methylidene]propanedioate
CID 1811924
3-(Methoxycarbonyl)-2H-cyclohepta[b]furan-2-one
CID 10081616
methyl (E)-3-[3,5-bis(acetyloxymethyl)-4-methoxy-6-oxopyran-2-yl]prop-2-enoate
CID 137633256
a-Pyrone phomone D
CID 137643201
Rosellisin
CID 5358551
2H-Furo[3,4-b]pyran-2,5(7H)-dione, 7-ethyl-4-methoxy-, (7S)-
CID 10242206
Ifhbfwlmlspism-fkjilziqsa-
CID 11368654
Lavjuismiztlgi-uhfffaoysa-
CID 11492190
Shjhziupbjkxfy-kzzdlznxsa-
CID 21727788

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate?
The IUPAC name of ethyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate (CID 540037) is ethyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate?
The canonical SMILES for ethyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate is CCOC(=O)c1c(OC)cc(=O)oc1C.
What is the InChIKey of ethyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate?
The InChIKey is OEDXYLUZISHCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-4-14-10(12)9-6(2)15-8(11)5-7(9)13-3/h5H,4H2,1-3H3.
What are the key properties of ethyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate?
ethyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-2-methyl-6-oxopyran-3-carboxylate is sourced from PubChem (CID 540037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).