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

C16H26O8 — CID 70386319

IUPACdiethyl carbonate;ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate
SMILESCCOC(=O)CC1(CC)OC(O)C=CC1=O.CCOC(=O)OCC
InChIInChI=1S/C11H16O5.C5H10O3/c1-3-11(7-10(14)15-4-2)8(12)5-6-9(13)16-11;1-3-7-5(6)8-4-2/h5-6,9,13H,3-4,7H2,1-2H3;3-4H2,1-2H3
InChIKeyMALFTLWNIPZLRO-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.74
Rot. Bonds6

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

diethyl carbonate;ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate (PubChem CID 70386319) has the molecular formula C16H26O8 and a molecular weight of 346.38 g/mol. Its IUPAC name is diethyl carbonate;ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate.

Molecular Properties

Compound Namediethyl carbonate;ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate
PubChem CID70386319
Molecular FormulaC16H26O8
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Namediethyl carbonate;ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate
SMILESCCOC(=O)CC1(CC)OC(O)C=CC1=O.CCOC(=O)OCC
InChIInChI=1S/C11H16O5.C5H10O3/c1-3-11(7-10(14)15-4-2)8(12)5-6-9(13)16-11;1-3-7-5(6)8-4-2/h5-6,9,13H,3-4,7H2,1-2H3;3-4H2,1-2H3
InChIKeyMALFTLWNIPZLRO-UHFFFAOYSA-N
XLogP1.74
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 14358753
CID 14358753
CID 14358754
CID 14358754
CID 354569
CID 354569
CID 70386321
CID 70386321
CID 70386325
CID 70386325
CID 3624458
CID 3624458
CID 10807380
CID 10807380
CID 50905365
CID 50905365
CID 50905572
CID 50905572
CID 50905573
CID 50905573
CID 56851491
CID 56851491
CID 70386320
CID 70386320

Frequently Asked Questions

What is the IUPAC name of diethyl carbonate;ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate?
The IUPAC name of diethyl carbonate;ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate (CID 70386319) is diethyl carbonate;ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate.
What is the SMILES notation for diethyl carbonate;ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate?
The canonical SMILES for diethyl carbonate;ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate is CCOC(=O)CC1(CC)OC(O)C=CC1=O.CCOC(=O)OCC.
What is the InChIKey of diethyl carbonate;ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate?
The InChIKey is MALFTLWNIPZLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5.C5H10O3/c1-3-11(7-10(14)15-4-2)8(12)5-6-9(13)16-11;1-3-7-5(6)8-4-2/h5-6,9,13H,3-4,7H2,1-2H3;3-4H2,1-2H3.
What are the key properties of diethyl carbonate;ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate?
diethyl carbonate;ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate has a molecular weight of 346.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl carbonate;ethyl 2-(6-ethyl-2-hydroxy-5-oxo-2H-pyran-6-yl)acetate is sourced from PubChem (CID 70386319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).