3-tridecyloxolane-2,5-dione

C17H30O3 — CID 14694266

IUPAC3-tridecyloxolane-2,5-dione
SMILESCCCCCCCCCCCCCC1CC(=O)OC1=O
InChIInChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16(18)20-17(15)19/h15H,2-14H2,1H3
InChIKeyWEXYVJZMLTZASJ-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.78
Rot. Bonds12

About 3-tridecyloxolane-2,5-dione

3-tridecyloxolane-2,5-dione (PubChem CID 14694266) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 3-tridecyloxolane-2,5-dione.

Molecular Properties

Compound Name3-tridecyloxolane-2,5-dione
PubChem CID14694266
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name3-tridecyloxolane-2,5-dione
SMILESCCCCCCCCCCCCCC1CC(=O)OC1=O
InChIInChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16(18)20-17(15)19/h15H,2-14H2,1H3
InChIKeyWEXYVJZMLTZASJ-UHFFFAOYSA-N
XLogP4.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-tridecyloxolane-2,5-dione?
The IUPAC name of 3-tridecyloxolane-2,5-dione (CID 14694266) is 3-tridecyloxolane-2,5-dione.
What is the SMILES notation for 3-tridecyloxolane-2,5-dione?
The canonical SMILES for 3-tridecyloxolane-2,5-dione is CCCCCCCCCCCCCC1CC(=O)OC1=O.
What is the InChIKey of 3-tridecyloxolane-2,5-dione?
The InChIKey is WEXYVJZMLTZASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16(18)20-17(15)19/h15H,2-14H2,1H3.
What are the key properties of 3-tridecyloxolane-2,5-dione?
3-tridecyloxolane-2,5-dione has a molecular weight of 282.42 g/mol, XLogP of 4.78, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tridecyloxolane-2,5-dione is sourced from PubChem (CID 14694266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).