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

C14H20O7 — CID 70386321

IUPACethyl 2-(2-ethoxycarbonyloxy-6-ethyl-5-oxo-2H-pyran-6-yl)acetate
SMILESCCOC(=O)CC1(CC)OC(OC(=O)OCC)C=CC1=O
InChIInChI=1S/C14H20O7/c1-4-14(9-11(16)18-5-2)10(15)7-8-12(21-14)20-13(17)19-6-3/h7-8,12H,4-6,9H2,1-3H3
InChIKeyMJLIYANTQOBGQL-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.74
Rot. Bonds6

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

ethyl 2-(2-ethoxycarbonyloxy-6-ethyl-5-oxo-2H-pyran-6-yl)acetate (PubChem CID 70386321) has the molecular formula C14H20O7 and a molecular weight of 300.31 g/mol. Its IUPAC name is ethyl 2-(2-ethoxycarbonyloxy-6-ethyl-5-oxo-2H-pyran-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxycarbonyloxy-6-ethyl-5-oxo-2H-pyran-6-yl)acetate
PubChem CID70386321
Molecular FormulaC14H20O7
Molecular Weight300.31 g/mol
Exact Mass300.12
IUPAC Nameethyl 2-(2-ethoxycarbonyloxy-6-ethyl-5-oxo-2H-pyran-6-yl)acetate
SMILESCCOC(=O)CC1(CC)OC(OC(=O)OCC)C=CC1=O
InChIInChI=1S/C14H20O7/c1-4-14(9-11(16)18-5-2)10(15)7-8-12(21-14)20-13(17)19-6-3/h7-8,12H,4-6,9H2,1-3H3
InChIKeyMJLIYANTQOBGQL-UHFFFAOYSA-N
XLogP1.74
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxycarbonyloxy-6-ethyl-5-oxo-2H-pyran-6-yl)acetate?
The IUPAC name of ethyl 2-(2-ethoxycarbonyloxy-6-ethyl-5-oxo-2H-pyran-6-yl)acetate (CID 70386321) is ethyl 2-(2-ethoxycarbonyloxy-6-ethyl-5-oxo-2H-pyran-6-yl)acetate.
What is the SMILES notation for ethyl 2-(2-ethoxycarbonyloxy-6-ethyl-5-oxo-2H-pyran-6-yl)acetate?
The canonical SMILES for ethyl 2-(2-ethoxycarbonyloxy-6-ethyl-5-oxo-2H-pyran-6-yl)acetate is CCOC(=O)CC1(CC)OC(OC(=O)OCC)C=CC1=O.
What is the InChIKey of ethyl 2-(2-ethoxycarbonyloxy-6-ethyl-5-oxo-2H-pyran-6-yl)acetate?
The InChIKey is MJLIYANTQOBGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O7/c1-4-14(9-11(16)18-5-2)10(15)7-8-12(21-14)20-13(17)19-6-3/h7-8,12H,4-6,9H2,1-3H3.
What are the key properties of ethyl 2-(2-ethoxycarbonyloxy-6-ethyl-5-oxo-2H-pyran-6-yl)acetate?
ethyl 2-(2-ethoxycarbonyloxy-6-ethyl-5-oxo-2H-pyran-6-yl)acetate has a molecular weight of 300.31 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxycarbonyloxy-6-ethyl-5-oxo-2H-pyran-6-yl)acetate is sourced from PubChem (CID 70386321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).