2-hexoxyethyl 2-hydroxybutanoate

C12H24O4 — CID 71450081

IUPAC2-hexoxyethyl 2-hydroxybutanoate
SMILESCCCCCCOCCOC(=O)C(O)CC
InChIInChI=1S/C12H24O4/c1-3-5-6-7-8-15-9-10-16-12(14)11(13)4-2/h11,13H,3-10H2,1-2H3
InChIKeyUAWHEBJRSITOJF-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.90
Rot. Bonds10

About 2-hexoxyethyl 2-hydroxybutanoate

2-hexoxyethyl 2-hydroxybutanoate (PubChem CID 71450081) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-hexoxyethyl 2-hydroxybutanoate.

Molecular Properties

Compound Name2-hexoxyethyl 2-hydroxybutanoate
PubChem CID71450081
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-hexoxyethyl 2-hydroxybutanoate
SMILESCCCCCCOCCOC(=O)C(O)CC
InChIInChI=1S/C12H24O4/c1-3-5-6-7-8-15-9-10-16-12(14)11(13)4-2/h11,13H,3-10H2,1-2H3
InChIKeyUAWHEBJRSITOJF-UHFFFAOYSA-N
XLogP1.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-hexoxyethyl 2-hydroxybutanoate 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 2-hexoxyethyl 2-hydroxybutanoate?
The IUPAC name of 2-hexoxyethyl 2-hydroxybutanoate (CID 71450081) is 2-hexoxyethyl 2-hydroxybutanoate.
What is the SMILES notation for 2-hexoxyethyl 2-hydroxybutanoate?
The canonical SMILES for 2-hexoxyethyl 2-hydroxybutanoate is CCCCCCOCCOC(=O)C(O)CC.
What is the InChIKey of 2-hexoxyethyl 2-hydroxybutanoate?
The InChIKey is UAWHEBJRSITOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-3-5-6-7-8-15-9-10-16-12(14)11(13)4-2/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-hexoxyethyl 2-hydroxybutanoate?
2-hexoxyethyl 2-hydroxybutanoate has a molecular weight of 232.32 g/mol, XLogP of 1.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxyethyl 2-hydroxybutanoate is sourced from PubChem (CID 71450081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).