3,5,7,9-tetramethylundecane-2,6,10-trione

C15H26O3 — CID 150395094

IUPAC3,5,7,9-tetramethylundecane-2,6,10-trione
SMILESCC(=O)C(C)CC(C)C(=O)C(C)CC(C)C(C)=O
InChIInChI=1S/C15H26O3/c1-9(13(5)16)7-11(3)15(18)12(4)8-10(2)14(6)17/h9-12H,7-8H2,1-6H3
InChIKeyHCNWJRNNOWBZPT-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.06
Rot. Bonds8

About 3,5,7,9-tetramethylundecane-2,6,10-trione

3,5,7,9-tetramethylundecane-2,6,10-trione (PubChem CID 150395094) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3,5,7,9-tetramethylundecane-2,6,10-trione.

Molecular Properties

Compound Name3,5,7,9-tetramethylundecane-2,6,10-trione
PubChem CID150395094
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name3,5,7,9-tetramethylundecane-2,6,10-trione
SMILESCC(=O)C(C)CC(C)C(=O)C(C)CC(C)C(C)=O
InChIInChI=1S/C15H26O3/c1-9(13(5)16)7-11(3)15(18)12(4)8-10(2)14(6)17/h9-12H,7-8H2,1-6H3
InChIKeyHCNWJRNNOWBZPT-UHFFFAOYSA-N
XLogP3.06
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3,5-dimethyl-6-(methylamino)hexan-2-one
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3-methyl-4-[(2-methyl-3-oxobutoxy)methoxy]butan-2-one
CID 23594106
3,5-dimethyl-7-(1-methylpyrazol-3-yl)octane-2,6-dione
CID 18710358
5-ethyl-3-methyloctan-2-one
CID 155598738
5-hydroxy-3-methyl-6-(methylamino)heptan-2-one
CID 20601498
4,6,8,10-tetramethyltridecan-7-one
CID 150096425
3-methyl-4-methylsulfanylbutan-2-one
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(3S)-3-methyl-4-oxopentanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3,5,7,9-tetramethylundecane-2,6,10-trione?
The IUPAC name of 3,5,7,9-tetramethylundecane-2,6,10-trione (CID 150395094) is 3,5,7,9-tetramethylundecane-2,6,10-trione.
What is the SMILES notation for 3,5,7,9-tetramethylundecane-2,6,10-trione?
The canonical SMILES for 3,5,7,9-tetramethylundecane-2,6,10-trione is CC(=O)C(C)CC(C)C(=O)C(C)CC(C)C(C)=O.
What is the InChIKey of 3,5,7,9-tetramethylundecane-2,6,10-trione?
The InChIKey is HCNWJRNNOWBZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-9(13(5)16)7-11(3)15(18)12(4)8-10(2)14(6)17/h9-12H,7-8H2,1-6H3.
What are the key properties of 3,5,7,9-tetramethylundecane-2,6,10-trione?
3,5,7,9-tetramethylundecane-2,6,10-trione has a molecular weight of 254.37 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7,9-tetramethylundecane-2,6,10-trione is sourced from PubChem (CID 150395094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).