9-ethylundecane-4,6-dione

C13H24O2 — CID 175392725

IUPAC9-ethylundecane-4,6-dione
SMILESCCCC(=O)CC(=O)CCC(CC)CC
InChIInChI=1S/C13H24O2/c1-4-7-12(14)10-13(15)9-8-11(5-2)6-3/h11H,4-10H2,1-3H3
InChIKeyLIADGTNTMFOOBI-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.53
Rot. Bonds9

About 9-ethylundecane-4,6-dione

9-ethylundecane-4,6-dione (PubChem CID 175392725) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 9-ethylundecane-4,6-dione.

Molecular Properties

Compound Name9-ethylundecane-4,6-dione
PubChem CID175392725
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name9-ethylundecane-4,6-dione
SMILESCCCC(=O)CC(=O)CCC(CC)CC
InChIInChI=1S/C13H24O2/c1-4-7-12(14)10-13(15)9-8-11(5-2)6-3/h11H,4-10H2,1-3H3
InChIKeyLIADGTNTMFOOBI-UHFFFAOYSA-N
XLogP3.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-ethylnonan-4-one
CID 537776
7-(methoxymethyl)nonan-4-one
CID 123531318
9-ethylundecane-3,6-dione
CID 174193885
heptane-2,4-dione;palladium(2+)
CID 21417766
heptane-3,5-dione;bis(hexan-3-one)
CID 161435839
tetrakis(4-ethylhexanoate);tin(4+)
CID 161046368
bis(3-oxohexanoic acid);silane
CID 175228530
bis(heptane-2,4-dione);platinum
CID 158167242
8-amino-6-ethyloctan-3-one
CID 116578085
7-ethenyl-8-methyldecan-4-one
CID 176967408
6-ethyloct-1-en-3-one
CID 83963336
tris(3-oxohexanoate);ruthenium(3+)
CID 159943529

Frequently Asked Questions

What is the IUPAC name of 9-ethylundecane-4,6-dione?
The IUPAC name of 9-ethylundecane-4,6-dione (CID 175392725) is 9-ethylundecane-4,6-dione.
What is the SMILES notation for 9-ethylundecane-4,6-dione?
The canonical SMILES for 9-ethylundecane-4,6-dione is CCCC(=O)CC(=O)CCC(CC)CC.
What is the InChIKey of 9-ethylundecane-4,6-dione?
The InChIKey is LIADGTNTMFOOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-7-12(14)10-13(15)9-8-11(5-2)6-3/h11H,4-10H2,1-3H3.
What are the key properties of 9-ethylundecane-4,6-dione?
9-ethylundecane-4,6-dione has a molecular weight of 212.33 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethylundecane-4,6-dione is sourced from PubChem (CID 175392725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).