5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid

C10H16O7 — CID 15384083

IUPAC5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid
SMILESCCOC(=O)CC(O)(CC(=O)O)C(=O)OCC
InChIInChI=1S/C10H16O7/c1-3-16-8(13)6-10(15,5-7(11)12)9(14)17-4-2/h15H,3-6H2,1-2H3,(H,11,12)
InChIKeyKGYXYKHTHJPEBX-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.29
Rot. Bonds7

About 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid

5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid (PubChem CID 15384083) has the molecular formula C10H16O7 and a molecular weight of 248.23 g/mol. Its IUPAC name is 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid.

Molecular Properties

Compound Name5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid
PubChem CID15384083
Molecular FormulaC10H16O7
Molecular Weight248.23 g/mol
Exact Mass248.09
IUPAC Name5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid
SMILESCCOC(=O)CC(O)(CC(=O)O)C(=O)OCC
InChIInChI=1S/C10H16O7/c1-3-16-8(13)6-10(15,5-7(11)12)9(14)17-4-2/h15H,3-6H2,1-2H3,(H,11,12)
InChIKeyKGYXYKHTHJPEBX-UHFFFAOYSA-N
XLogP-0.29
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid?
The IUPAC name of 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid (CID 15384083) is 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid.
What is the SMILES notation for 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid?
The canonical SMILES for 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid is CCOC(=O)CC(O)(CC(=O)O)C(=O)OCC.
What is the InChIKey of 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid?
The InChIKey is KGYXYKHTHJPEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O7/c1-3-16-8(13)6-10(15,5-7(11)12)9(14)17-4-2/h15H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid?
5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid has a molecular weight of 248.23 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid is sourced from PubChem (CID 15384083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).