methyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate

C11H14O6 — CID 11299486

IUPACmethyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate
SMILESCOC(=O)C1=C(OC(C)=O)COCC1CC=O
InChIInChI=1S/C11H14O6/c1-7(13)17-9-6-16-5-8(3-4-12)10(9)11(14)15-2/h4,8H,3,5-6H2,1-2H3
InChIKeyODTZXKXDJKTSAH-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.21
Rot. Bonds4

About methyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate

methyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate (PubChem CID 11299486) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate
PubChem CID11299486
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Namemethyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate
SMILESCOC(=O)C1=C(OC(C)=O)COCC1CC=O
InChIInChI=1S/C11H14O6/c1-7(13)17-9-6-16-5-8(3-4-12)10(9)11(14)15-2/h4,8H,3,5-6H2,1-2H3
InChIKeyODTZXKXDJKTSAH-UHFFFAOYSA-N
XLogP0.21
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4,6-dimethyl-2-oxo-3,4-dihydro-2h-pyran-5-carboxylate
CID 223384
[(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
CID 11367618
[(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
CID 138982628
[(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
CID 11333644
[4-(methoxymethyl)-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-5-yl] acetate
CID 11401913
4-ethyl-2-methyl-5-oxo-4H-furan-3-carboxylic acid ethyl ester
CID 13235605
Dimethyl 3,5-dimethyl-2,3-dihydrofuran-2,4-dicarboxylate
CID 85724516
ethyl (4S)-4,6-dimethyl-2-oxo-3,4-dihydropyran-5-carboxylate
CID 92163333
ethyl (4R)-4,6-dimethyl-2-oxo-3,4-dihydropyran-5-carboxylate
CID 92220030
methyl (2Z)-2-(1-acetyloxyethylidene)-5-oxopentanoate
CID 101211327
methyl (2Z)-2-(1-acetyloxy-2-methoxyethylidene)-5-oxopentanoate
CID 101211332
methyl 5-[(2R)-1-ethoxy-1,4-dioxobutan-2-yl]-6-oxopyran-3-carboxylate
CID 177412715

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate?
The IUPAC name of methyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate (CID 11299486) is methyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate.
What is the SMILES notation for methyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate?
The canonical SMILES for methyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate is COC(=O)C1=C(OC(C)=O)COCC1CC=O.
What is the InChIKey of methyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate?
The InChIKey is ODTZXKXDJKTSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-7(13)17-9-6-16-5-8(3-4-12)10(9)11(14)15-2/h4,8H,3,5-6H2,1-2H3.
What are the key properties of methyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate?
methyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate has a molecular weight of 242.23 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate is sourced from PubChem (CID 11299486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).