2-hydroxyethyl 2,2-diethylhexanoate

C12H24O3 — CID 23093269

IUPAC2-hydroxyethyl 2,2-diethylhexanoate
SMILESCCCCC(CC)(CC)C(=O)OCCO
InChIInChI=1S/C12H24O3/c1-4-7-8-12(5-2,6-3)11(14)15-10-9-13/h13H,4-10H2,1-3H3
InChIKeyVMGSCILMYSTSLO-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.52
Rot. Bonds8

About 2-hydroxyethyl 2,2-diethylhexanoate

2-hydroxyethyl 2,2-diethylhexanoate (PubChem CID 23093269) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-hydroxyethyl 2,2-diethylhexanoate.

Molecular Properties

Compound Name2-hydroxyethyl 2,2-diethylhexanoate
PubChem CID23093269
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-hydroxyethyl 2,2-diethylhexanoate
SMILESCCCCC(CC)(CC)C(=O)OCCO
InChIInChI=1S/C12H24O3/c1-4-7-8-12(5-2,6-3)11(14)15-10-9-13/h13H,4-10H2,1-3H3
InChIKeyVMGSCILMYSTSLO-UHFFFAOYSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxyethyl 2,2-diethylhexanoate 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-hydroxyethyl 2,2-diethylhexanoate?
The IUPAC name of 2-hydroxyethyl 2,2-diethylhexanoate (CID 23093269) is 2-hydroxyethyl 2,2-diethylhexanoate.
What is the SMILES notation for 2-hydroxyethyl 2,2-diethylhexanoate?
The canonical SMILES for 2-hydroxyethyl 2,2-diethylhexanoate is CCCCC(CC)(CC)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2,2-diethylhexanoate?
The InChIKey is VMGSCILMYSTSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-4-7-8-12(5-2,6-3)11(14)15-10-9-13/h13H,4-10H2,1-3H3.
What are the key properties of 2-hydroxyethyl 2,2-diethylhexanoate?
2-hydroxyethyl 2,2-diethylhexanoate has a molecular weight of 216.32 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2,2-diethylhexanoate is sourced from PubChem (CID 23093269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).