4,4-dimethylundecane-2,6,10-trione

C13H22O3 — CID 101186067

IUPAC4,4-dimethylundecane-2,6,10-trione
SMILESCC(=O)CCCC(=O)CC(C)(C)CC(C)=O
InChIInChI=1S/C13H22O3/c1-10(14)6-5-7-12(16)9-13(3,4)8-11(2)15/h5-9H2,1-4H3
InChIKeyCIAAXRBVUNMKGN-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.71
Rot. Bonds8

About 4,4-dimethylundecane-2,6,10-trione

4,4-dimethylundecane-2,6,10-trione (PubChem CID 101186067) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4,4-dimethylundecane-2,6,10-trione.

Molecular Properties

Compound Name4,4-dimethylundecane-2,6,10-trione
PubChem CID101186067
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name4,4-dimethylundecane-2,6,10-trione
SMILESCC(=O)CCCC(=O)CC(C)(C)CC(C)=O
InChIInChI=1S/C13H22O3/c1-10(14)6-5-7-12(16)9-13(3,4)8-11(2)15/h5-9H2,1-4H3
InChIKeyCIAAXRBVUNMKGN-UHFFFAOYSA-N
XLogP2.71
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

nonadecane-2,6,10,14,18-pentone
CID 539058
tricosane-2,6,10,14,18,22-hexone
CID 537144
5,5-dimethyltridecane-2,7-dione
CID 173128843
3,3-dimethyl-5-oxohexanoic acid
CID 11332610
3-(2,2-dimethyl-4,8-dioxononoxy)butanoic acid;ethane;samarium
CID 177180338
1-hydroxyoctane-2,7-dione
CID 19604643
2,2,14,14-tetramethylpentadecane-4,12-dione
CID 158540576
4,4-dimethyl-6-oxoheptanoic acid
CID 15559932
decane-4,7-dione;dodecane-4,9-dione;octane-2,7-dione;undecane-4,8-dione
CID 91087282
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416
tridecane-2,6,8-trione
CID 154620495

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylundecane-2,6,10-trione?
The IUPAC name of 4,4-dimethylundecane-2,6,10-trione (CID 101186067) is 4,4-dimethylundecane-2,6,10-trione.
What is the SMILES notation for 4,4-dimethylundecane-2,6,10-trione?
The canonical SMILES for 4,4-dimethylundecane-2,6,10-trione is CC(=O)CCCC(=O)CC(C)(C)CC(C)=O.
What is the InChIKey of 4,4-dimethylundecane-2,6,10-trione?
The InChIKey is CIAAXRBVUNMKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-10(14)6-5-7-12(16)9-13(3,4)8-11(2)15/h5-9H2,1-4H3.
What are the key properties of 4,4-dimethylundecane-2,6,10-trione?
4,4-dimethylundecane-2,6,10-trione has a molecular weight of 226.32 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylundecane-2,6,10-trione is sourced from PubChem (CID 101186067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).