5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid

C11H20O4 — CID 18716533

IUPAC5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid
SMILESCCOC(=O)C(C)CC(C)(CC)C(=O)O
InChIInChI=1S/C11H20O4/c1-5-11(4,10(13)14)7-8(3)9(12)15-6-2/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyVLCWEQGEYPQMPP-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.08
Rot. Bonds6

About 5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid

5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid (PubChem CID 18716533) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid
PubChem CID18716533
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid
SMILESCCOC(=O)C(C)CC(C)(CC)C(=O)O
InChIInChI=1S/C11H20O4/c1-5-11(4,10(13)14)7-8(3)9(12)15-6-2/h8H,5-7H2,1-4H3,(H,13,14)
InChIKeyVLCWEQGEYPQMPP-UHFFFAOYSA-N
XLogP2.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

CID 20342
CID 20342
CID 13531593
CID 13531593
CID 58530725
CID 58530725
CID 79425561
CID 79425561
CID 118366787
CID 118366787
CID 154577407
CID 154577407
CID 58420458
CID 58420458
CID 23422718
CID 23422718
CID 550227
CID 550227
CID 18402802
CID 18402802
CID 21678125
CID 21678125
CID 5325241
CID 5325241

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid (CID 18716533) is 5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid is CCOC(=O)C(C)CC(C)(CC)C(=O)O.
What is the InChIKey of 5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid?
The InChIKey is VLCWEQGEYPQMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-5-11(4,10(13)14)7-8(3)9(12)15-6-2/h8H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid?
5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid has a molecular weight of 216.28 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-ethyl-2,4-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 18716533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).