5-decyl-3-(2-hydroxyethyl)oxolan-2-one

C16H30O3 — CID 162927276

IUPAC5-decyl-3-(2-hydroxyethyl)oxolan-2-one
SMILESCCCCCCCCCCC1CC(CCO)C(=O)O1
InChIInChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-15-13-14(11-12-17)16(18)19-15/h14-15,17H,2-13H2,1H3
InChIKeyWTYOCFGPMRJBIX-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.83
Rot. Bonds11

About 5-decyl-3-(2-hydroxyethyl)oxolan-2-one

5-decyl-3-(2-hydroxyethyl)oxolan-2-one (PubChem CID 162927276) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 5-decyl-3-(2-hydroxyethyl)oxolan-2-one.

Molecular Properties

Compound Name5-decyl-3-(2-hydroxyethyl)oxolan-2-one
PubChem CID162927276
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name5-decyl-3-(2-hydroxyethyl)oxolan-2-one
SMILESCCCCCCCCCCC1CC(CCO)C(=O)O1
InChIInChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-15-13-14(11-12-17)16(18)19-15/h14-15,17H,2-13H2,1H3
InChIKeyWTYOCFGPMRJBIX-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-decyl-3-(2-hydroxyethyl)oxolan-2-one 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 5-decyl-3-(2-hydroxyethyl)oxolan-2-one?
The IUPAC name of 5-decyl-3-(2-hydroxyethyl)oxolan-2-one (CID 162927276) is 5-decyl-3-(2-hydroxyethyl)oxolan-2-one.
What is the SMILES notation for 5-decyl-3-(2-hydroxyethyl)oxolan-2-one?
The canonical SMILES for 5-decyl-3-(2-hydroxyethyl)oxolan-2-one is CCCCCCCCCCC1CC(CCO)C(=O)O1.
What is the InChIKey of 5-decyl-3-(2-hydroxyethyl)oxolan-2-one?
The InChIKey is WTYOCFGPMRJBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-15-13-14(11-12-17)16(18)19-15/h14-15,17H,2-13H2,1H3.
What are the key properties of 5-decyl-3-(2-hydroxyethyl)oxolan-2-one?
5-decyl-3-(2-hydroxyethyl)oxolan-2-one has a molecular weight of 270.41 g/mol, XLogP of 3.83, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-3-(2-hydroxyethyl)oxolan-2-one is sourced from PubChem (CID 162927276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).