4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid

C12H22O5 — CID 141161534

IUPAC4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid
SMILESCCCC(C)OC(=O)C(CCC(=O)O)OCC
InChIInChI=1S/C12H22O5/c1-4-6-9(3)17-12(15)10(16-5-2)7-8-11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyCJUVVPVAXMOLHX-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.99
Rot. Bonds9

About 4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid

4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid (PubChem CID 141161534) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid.

Molecular Properties

Compound Name4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid
PubChem CID141161534
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid
SMILESCCCC(C)OC(=O)C(CCC(=O)O)OCC
InChIInChI=1S/C12H22O5/c1-4-6-9(3)17-12(15)10(16-5-2)7-8-11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyCJUVVPVAXMOLHX-UHFFFAOYSA-N
XLogP1.99
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid?
The IUPAC name of 4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid (CID 141161534) is 4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid.
What is the SMILES notation for 4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid?
The canonical SMILES for 4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid is CCCC(C)OC(=O)C(CCC(=O)O)OCC.
What is the InChIKey of 4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid?
The InChIKey is CJUVVPVAXMOLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-4-6-9(3)17-12(15)10(16-5-2)7-8-11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid?
4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid has a molecular weight of 246.30 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-oxo-5-pentan-2-yloxypentanoic acid is sourced from PubChem (CID 141161534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).