2-ethyl-2-methylcyclopentane-1,3-dione

C8H12O2 — CID 574386

IUPAC2-ethyl-2-methylcyclopentane-1,3-dione
SMILESCCC1(C)C(=O)CCC1=O
InChIInChI=1S/C8H12O2/c1-3-8(2)6(9)4-5-7(8)10/h3-5H2,1-2H3
InChIKeySJLQUGFNCWGDSC-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.33
Rot. Bonds1

About 2-ethyl-2-methylcyclopentane-1,3-dione

2-ethyl-2-methylcyclopentane-1,3-dione (PubChem CID 574386) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-ethyl-2-methylcyclopentane-1,3-dione.

Molecular Properties

Compound Name2-ethyl-2-methylcyclopentane-1,3-dione
PubChem CID574386
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-ethyl-2-methylcyclopentane-1,3-dione
SMILESCCC1(C)C(=O)CCC1=O
InChIInChI=1S/C8H12O2/c1-3-8(2)6(9)4-5-7(8)10/h3-5H2,1-2H3
InChIKeySJLQUGFNCWGDSC-UHFFFAOYSA-N
XLogP1.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.33
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylcyclopentane-1,3-dione?
The IUPAC name of 2-ethyl-2-methylcyclopentane-1,3-dione (CID 574386) is 2-ethyl-2-methylcyclopentane-1,3-dione.
What is the SMILES notation for 2-ethyl-2-methylcyclopentane-1,3-dione?
The canonical SMILES for 2-ethyl-2-methylcyclopentane-1,3-dione is CCC1(C)C(=O)CCC1=O.
What is the InChIKey of 2-ethyl-2-methylcyclopentane-1,3-dione?
The InChIKey is SJLQUGFNCWGDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-8(2)6(9)4-5-7(8)10/h3-5H2,1-2H3.
What are the key properties of 2-ethyl-2-methylcyclopentane-1,3-dione?
2-ethyl-2-methylcyclopentane-1,3-dione has a molecular weight of 140.18 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylcyclopentane-1,3-dione is sourced from PubChem (CID 574386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).