2,2-diethylcyclopentane-1,3-dione

C9H14O2 — CID 10464532

IUPAC2,2-diethylcyclopentane-1,3-dione
SMILESCCC1(CC)C(=O)CCC1=O
InChIInChI=1S/C9H14O2/c1-3-9(4-2)7(10)5-6-8(9)11/h3-6H2,1-2H3
InChIKeyVZUUHUCLQDMEKW-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.72
Rot. Bonds2

About 2,2-diethylcyclopentane-1,3-dione

2,2-diethylcyclopentane-1,3-dione (PubChem CID 10464532) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,2-diethylcyclopentane-1,3-dione.

Molecular Properties

Compound Name2,2-diethylcyclopentane-1,3-dione
PubChem CID10464532
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2,2-diethylcyclopentane-1,3-dione
SMILESCCC1(CC)C(=O)CCC1=O
InChIInChI=1S/C9H14O2/c1-3-9(4-2)7(10)5-6-8(9)11/h3-6H2,1-2H3
InChIKeyVZUUHUCLQDMEKW-UHFFFAOYSA-N
XLogP1.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.72
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

2-ethyl-2-methylcyclopentane-1,3-dione
CID 574386
2-ethyl-2-methylpyrrolidin-3-one
CID 83826189
2-(3-oxobutyl)-2-propylcyclopentane-1,3-dione
CID 25171983
5,5-diethyl-1,3-diazinane-4,6-dione
CID 130004864
2-(1-ethyl-7-methyl-2-oxo-3,4-dihydronaphthalen-1-yl)acetonitrile
CID 118262220
5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride
CID 22163315
1,2-diethyl-2,3,3-trimethylpiperidin-4-one
CID 70617371
2-ethyl-2-propan-2-ylcyclobutan-1-one
CID 134922592
2,2-diethyl-4H-naphthalene-1,3-dione
CID 173029100
8a-ethyl-3,4,4a,5,6,7-hexahydro-2H-naphthalene-1,8-dione
CID 586685
2,2-diethyl-7,8-dihydronaphtho[6,7-f][1,3]benzodioxole-6,9-dione
CID 102142041
2-ethyl-2-methylcyclooctane-1,5-dione
CID 141347991

Frequently Asked Questions

What is the IUPAC name of 2,2-diethylcyclopentane-1,3-dione?
The IUPAC name of 2,2-diethylcyclopentane-1,3-dione (CID 10464532) is 2,2-diethylcyclopentane-1,3-dione.
What is the SMILES notation for 2,2-diethylcyclopentane-1,3-dione?
The canonical SMILES for 2,2-diethylcyclopentane-1,3-dione is CCC1(CC)C(=O)CCC1=O.
What is the InChIKey of 2,2-diethylcyclopentane-1,3-dione?
The InChIKey is VZUUHUCLQDMEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-9(4-2)7(10)5-6-8(9)11/h3-6H2,1-2H3.
What are the key properties of 2,2-diethylcyclopentane-1,3-dione?
2,2-diethylcyclopentane-1,3-dione has a molecular weight of 154.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylcyclopentane-1,3-dione is sourced from PubChem (CID 10464532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).