2-decylpyran-3,4-dione

C15H24O3 — CID 21397286

IUPAC2-decylpyran-3,4-dione
SMILESCCCCCCCCCCC1OC=CC(=O)C1=O
InChIInChI=1S/C15H24O3/c1-2-3-4-5-6-7-8-9-10-14-15(17)13(16)11-12-18-14/h11-12,14H,2-10H2,1H3
InChIKeyVEJFFGWJPLNVAV-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.57
Rot. Bonds9

About 2-decylpyran-3,4-dione

2-decylpyran-3,4-dione (PubChem CID 21397286) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-decylpyran-3,4-dione.

Molecular Properties

Compound Name2-decylpyran-3,4-dione
PubChem CID21397286
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-decylpyran-3,4-dione
SMILESCCCCCCCCCCC1OC=CC(=O)C1=O
InChIInChI=1S/C15H24O3/c1-2-3-4-5-6-7-8-9-10-14-15(17)13(16)11-12-18-14/h11-12,14H,2-10H2,1H3
InChIKeyVEJFFGWJPLNVAV-UHFFFAOYSA-N
XLogP3.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-decylpyran-3,4-dione 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-decylpyran-3,4-dione?
The IUPAC name of 2-decylpyran-3,4-dione (CID 21397286) is 2-decylpyran-3,4-dione.
What is the SMILES notation for 2-decylpyran-3,4-dione?
The canonical SMILES for 2-decylpyran-3,4-dione is CCCCCCCCCCC1OC=CC(=O)C1=O.
What is the InChIKey of 2-decylpyran-3,4-dione?
The InChIKey is VEJFFGWJPLNVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-3-4-5-6-7-8-9-10-14-15(17)13(16)11-12-18-14/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-decylpyran-3,4-dione?
2-decylpyran-3,4-dione has a molecular weight of 252.35 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylpyran-3,4-dione is sourced from PubChem (CID 21397286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).