ethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate

C12H14O6 — CID 90790043

IUPACethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate
SMILESCCOC(=O)COc1cc(C)oc(=O)c1C(C)=O
InChIInChI=1S/C12H14O6/c1-4-16-10(14)6-17-9-5-7(2)18-12(15)11(9)8(3)13/h5H,4,6H2,1-3H3
InChIKeyKZXNAZSMBUIEKR-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.09
Rot. Bonds5

About ethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate

ethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate (PubChem CID 90790043) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is ethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate
PubChem CID90790043
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Nameethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate
SMILESCCOC(=O)COc1cc(C)oc(=O)c1C(C)=O
InChIInChI=1S/C12H14O6/c1-4-16-10(14)6-17-9-5-7(2)18-12(15)11(9)8(3)13/h5H,4,6H2,1-3H3
InChIKeyKZXNAZSMBUIEKR-UHFFFAOYSA-N
XLogP1.09
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-acetyl-4-ethyl-3-hydroxyphenoxy)acetate
CID 86058897
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-[2-acetyl-3-[3-[2-acetyl-3-(2-ethoxy-2-oxoethoxy)phenoxy]-2-hydroxypropoxy]phenoxy]acetate
CID 3086909
ethyl 2-(4-acetyl-3-fluorophenoxy)acetate
CID 69405523
3-[(E)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]-4-hydroxy-6-methylpyran-2-one
CID 135789465
methyl 2-(2-ethoxy-2-oxoethoxy)-4-iodobenzoate
CID 67324883
ethyl 2-(2-hydroxy-4-methylphenoxy)acetate
CID 67510779
ethyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 782904
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7814141
ethyl 2-(4-acetamido-2,3,5-trimethylphenoxy)acetate
CID 5069097
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)-4-nitrophenoxy]acetate
CID 12678067

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate?
The IUPAC name of ethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate (CID 90790043) is ethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate?
The canonical SMILES for ethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate is CCOC(=O)COc1cc(C)oc(=O)c1C(C)=O.
What is the InChIKey of ethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate?
The InChIKey is KZXNAZSMBUIEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O6/c1-4-16-10(14)6-17-9-5-7(2)18-12(15)11(9)8(3)13/h5H,4,6H2,1-3H3.
What are the key properties of ethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate?
ethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate has a molecular weight of 254.24 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-acetyl-6-methyl-2-oxopyran-4-yl)oxyacetate is sourced from PubChem (CID 90790043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).