9-ethoxynonane-2,5-dione

C11H20O3 — CID 13027943

IUPAC9-ethoxynonane-2,5-dione
SMILESCCOCCCCC(=O)CCC(C)=O
InChIInChI=1S/C11H20O3/c1-3-14-9-5-4-6-11(13)8-7-10(2)12/h3-9H2,1-2H3
InChIKeyGCKRGCNPACQUJC-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.13
Rot. Bonds9

About 9-ethoxynonane-2,5-dione

9-ethoxynonane-2,5-dione (PubChem CID 13027943) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 9-ethoxynonane-2,5-dione.

Molecular Properties

Compound Name9-ethoxynonane-2,5-dione
PubChem CID13027943
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name9-ethoxynonane-2,5-dione
SMILESCCOCCCCC(=O)CCC(C)=O
InChIInChI=1S/C11H20O3/c1-3-14-9-5-4-6-11(13)8-7-10(2)12/h3-9H2,1-2H3
InChIKeyGCKRGCNPACQUJC-UHFFFAOYSA-N
XLogP2.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,9-diethoxynonan-5-one
CID 150666797
heptadecane-2,5,8,11-tetrone
CID 12716046
8-ethoxy-6-oxooctanoic acid
CID 154310113
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
7-hexoxyheptan-2-one
CID 122428493
6-[2-(2-propoxyethoxy)ethoxy]hexan-2-one
CID 58427327
5-ethoxypentaneperoxoic acid
CID 59169108
11-butoxyundecan-2-one
CID 175547866
1-dimethoxyphosphoryl-6-ethoxyhexan-2-one
CID 54140038
decane-4,7-dione;dodecane-4,9-dione;octane-2,7-dione;undecane-4,8-dione
CID 91087282
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
2-ethoxyethyl 4-oxopentanoate
CID 22556205

Frequently Asked Questions

What is the IUPAC name of 9-ethoxynonane-2,5-dione?
The IUPAC name of 9-ethoxynonane-2,5-dione (CID 13027943) is 9-ethoxynonane-2,5-dione.
What is the SMILES notation for 9-ethoxynonane-2,5-dione?
The canonical SMILES for 9-ethoxynonane-2,5-dione is CCOCCCCC(=O)CCC(C)=O.
What is the InChIKey of 9-ethoxynonane-2,5-dione?
The InChIKey is GCKRGCNPACQUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-14-9-5-4-6-11(13)8-7-10(2)12/h3-9H2,1-2H3.
What are the key properties of 9-ethoxynonane-2,5-dione?
9-ethoxynonane-2,5-dione has a molecular weight of 200.28 g/mol, XLogP of 2.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxynonane-2,5-dione is sourced from PubChem (CID 13027943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).