decane-2,5,8-trione

C10H16O3 — CID 12032450

IUPACdecane-2,5,8-trione
SMILESCCC(=O)CCC(=O)CCC(C)=O
InChIInChI=1S/C10H16O3/c1-3-9(12)6-7-10(13)5-4-8(2)11/h3-7H2,1-2H3
InChIKeyXIUPHVITAFTFDQ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.68
Rot. Bonds7

About decane-2,5,8-trione

decane-2,5,8-trione (PubChem CID 12032450) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is decane-2,5,8-trione.

Molecular Properties

Compound Namedecane-2,5,8-trione
PubChem CID12032450
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namedecane-2,5,8-trione
SMILESCCC(=O)CCC(=O)CCC(C)=O
InChIInChI=1S/C10H16O3/c1-3-9(12)6-7-10(13)5-4-8(2)11/h3-7H2,1-2H3
InChIKeyXIUPHVITAFTFDQ-UHFFFAOYSA-N
XLogP1.68
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze decane-2,5,8-trione 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 decane-2,5,8-trione?
The IUPAC name of decane-2,5,8-trione (CID 12032450) is decane-2,5,8-trione.
What is the SMILES notation for decane-2,5,8-trione?
The canonical SMILES for decane-2,5,8-trione is CCC(=O)CCC(=O)CCC(C)=O.
What is the InChIKey of decane-2,5,8-trione?
The InChIKey is XIUPHVITAFTFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-9(12)6-7-10(13)5-4-8(2)11/h3-7H2,1-2H3.
What are the key properties of decane-2,5,8-trione?
decane-2,5,8-trione has a molecular weight of 184.23 g/mol, XLogP of 1.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decane-2,5,8-trione is sourced from PubChem (CID 12032450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).