3-ethyl-3,5-dihydroxypentanoic acid

C7H14O4 — CID 3080831

IUPAC3-ethyl-3,5-dihydroxypentanoic acid
SMILESCCC(O)(CCO)CC(=O)O
InChIInChI=1S/C7H14O4/c1-2-7(11,3-4-8)5-6(9)10/h8,11H,2-5H2,1H3,(H,9,10)
InChIKeyINOVYOSRBMQWPJ-UHFFFAOYSA-N
MW162.19 g/mol
LogP-0.02
Rot. Bonds5

About 3-ethyl-3,5-dihydroxypentanoic acid

3-ethyl-3,5-dihydroxypentanoic acid (PubChem CID 3080831) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-ethyl-3,5-dihydroxypentanoic acid.

Molecular Properties

Compound Name3-ethyl-3,5-dihydroxypentanoic acid
PubChem CID3080831
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name3-ethyl-3,5-dihydroxypentanoic acid
SMILESCCC(O)(CCO)CC(=O)O
InChIInChI=1S/C7H14O4/c1-2-7(11,3-4-8)5-6(9)10/h8,11H,2-5H2,1H3,(H,9,10)
InChIKeyINOVYOSRBMQWPJ-UHFFFAOYSA-N
XLogP-0.02
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-3,5-dihydroxypentanoic 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 3-ethyl-3,5-dihydroxypentanoic acid?
The IUPAC name of 3-ethyl-3,5-dihydroxypentanoic acid (CID 3080831) is 3-ethyl-3,5-dihydroxypentanoic acid.
What is the SMILES notation for 3-ethyl-3,5-dihydroxypentanoic acid?
The canonical SMILES for 3-ethyl-3,5-dihydroxypentanoic acid is CCC(O)(CCO)CC(=O)O.
What is the InChIKey of 3-ethyl-3,5-dihydroxypentanoic acid?
The InChIKey is INOVYOSRBMQWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-2-7(11,3-4-8)5-6(9)10/h8,11H,2-5H2,1H3,(H,9,10).
What are the key properties of 3-ethyl-3,5-dihydroxypentanoic acid?
3-ethyl-3,5-dihydroxypentanoic acid has a molecular weight of 162.19 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,5-dihydroxypentanoic acid is sourced from PubChem (CID 3080831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).