2-ethylcyclodecane-1,6-dione

C12H20O2 — CID 141347956

IUPAC2-ethylcyclodecane-1,6-dione
SMILESCCC1CCCC(=O)CCCCC1=O
InChIInChI=1S/C12H20O2/c1-2-10-6-5-8-11(13)7-3-4-9-12(10)14/h10H,2-9H2,1H3
InChIKeyICTBUYIAIWFJAG-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.90
Rot. Bonds1

About 2-ethylcyclodecane-1,6-dione

2-ethylcyclodecane-1,6-dione (PubChem CID 141347956) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-ethylcyclodecane-1,6-dione.

Molecular Properties

Compound Name2-ethylcyclodecane-1,6-dione
PubChem CID141347956
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-ethylcyclodecane-1,6-dione
SMILESCCC1CCCC(=O)CCCCC1=O
InChIInChI=1S/C12H20O2/c1-2-10-6-5-8-11(13)7-3-4-9-12(10)14/h10H,2-9H2,1H3
InChIKeyICTBUYIAIWFJAG-UHFFFAOYSA-N
XLogP2.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethylcyclodecane-1,6-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

2-ethylcyclohexan-1-one;formic acid
CID 137364111
2-ethylcyclobutan-1-one
CID 534566
6-ethylcyclodecan-1-one
CID 18176981
(2R)-2-[[(1R)-2-oxocyclohexyl]methyl]cyclohexan-1-one
CID 915648
4-ethylcycloheptan-1-one
CID 15698158
ethane;2-(hydroxymethyl)cyclopentan-1-one
CID 144825908
(2R)-2-pentylcyclohexan-1-one
CID 86310435
2-butylcyclopentan-1-one;methanamine
CID 174247706
2-decylcyclopentan-1-one
CID 12823821
2-[(E)-4-(2-oxocyclopentyl)but-2-enyl]cyclopentan-1-one
CID 166722235
(2S)-2-(2-fluoroethyl)cyclopentan-1-one
CID 97052906
2-butylcyclopentan-1-one;N,N-dimethylmethanamine
CID 145289923

Frequently Asked Questions

What is the IUPAC name of 2-ethylcyclodecane-1,6-dione?
The IUPAC name of 2-ethylcyclodecane-1,6-dione (CID 141347956) is 2-ethylcyclodecane-1,6-dione.
What is the SMILES notation for 2-ethylcyclodecane-1,6-dione?
The canonical SMILES for 2-ethylcyclodecane-1,6-dione is CCC1CCCC(=O)CCCCC1=O.
What is the InChIKey of 2-ethylcyclodecane-1,6-dione?
The InChIKey is ICTBUYIAIWFJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-10-6-5-8-11(13)7-3-4-9-12(10)14/h10H,2-9H2,1H3.
What are the key properties of 2-ethylcyclodecane-1,6-dione?
2-ethylcyclodecane-1,6-dione has a molecular weight of 196.29 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcyclodecane-1,6-dione is sourced from PubChem (CID 141347956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).