9-ethylundecane-3,6-dione

C13H24O2 — CID 174193885

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

About 9-ethylundecane-3,6-dione

9-ethylundecane-3,6-dione (PubChem CID 174193885) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 9-ethylundecane-3,6-dione.

Molecular Properties

Compound Name9-ethylundecane-3,6-dione
PubChem CID174193885
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name9-ethylundecane-3,6-dione
SMILESCCC(=O)CCC(=O)CCC(CC)CC
InChIInChI=1S/C13H24O2/c1-4-11(5-2)7-8-13(15)10-9-12(14)6-3/h11H,4-10H2,1-3H3
InChIKeyZDHDCRHQVNRWQU-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

Analyze 9-ethylundecane-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethylnonan-4-one
CID 537776
8-amino-6-ethyloctan-3-one
CID 116578085
hexacosane-3,6,9,12,15,18,21,24-octone
CID 175857763
9-ethylundecane-4,6-dione
CID 175392725
6-hydroxyoctan-3-one
CID 15920952
7-ethylundecan-3-one
CID 64522719
(6S)-6-hydroxyheptan-3-one
CID 163026982
6,6-dichlorohexan-3-one
CID 15669105
4,7-dioxononanoic acid
CID 131853038
5-ethyl-8-methylidenedecan-3-one
CID 161304636
7-(methoxymethyl)nonan-4-one
CID 123531318
tetrakis(4-ethylhexanoate);tin(4+)
CID 161046368

Frequently Asked Questions

What is the IUPAC name of 9-ethylundecane-3,6-dione?
The IUPAC name of 9-ethylundecane-3,6-dione (CID 174193885) is 9-ethylundecane-3,6-dione.
What is the SMILES notation for 9-ethylundecane-3,6-dione?
The canonical SMILES for 9-ethylundecane-3,6-dione is CCC(=O)CCC(=O)CCC(CC)CC.
What is the InChIKey of 9-ethylundecane-3,6-dione?
The InChIKey is ZDHDCRHQVNRWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-11(5-2)7-8-13(15)10-9-12(14)6-3/h11H,4-10H2,1-3H3.
What are the key properties of 9-ethylundecane-3,6-dione?
9-ethylundecane-3,6-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-3,6-dione is sourced from PubChem (CID 174193885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).