5-(2,4-diethylcyclopentyl)oxolan-2-one

C13H22O2 — CID 59893654

IUPAC5-(2,4-diethylcyclopentyl)oxolan-2-one
SMILESCCC1CC(CC)C(C2CCC(=O)O2)C1
InChIInChI=1S/C13H22O2/c1-3-9-7-10(4-2)11(8-9)12-5-6-13(14)15-12/h9-12H,3-8H2,1-2H3
InChIKeyFZTLDAUGOYBRRG-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.15
Rot. Bonds3

About 5-(2,4-diethylcyclopentyl)oxolan-2-one

5-(2,4-diethylcyclopentyl)oxolan-2-one (PubChem CID 59893654) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-(2,4-diethylcyclopentyl)oxolan-2-one.

Molecular Properties

Compound Name5-(2,4-diethylcyclopentyl)oxolan-2-one
PubChem CID59893654
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name5-(2,4-diethylcyclopentyl)oxolan-2-one
SMILESCCC1CC(CC)C(C2CCC(=O)O2)C1
InChIInChI=1S/C13H22O2/c1-3-9-7-10(4-2)11(8-9)12-5-6-13(14)15-12/h9-12H,3-8H2,1-2H3
InChIKeyFZTLDAUGOYBRRG-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-diethylcyclopentyl)oxolan-2-one?
The IUPAC name of 5-(2,4-diethylcyclopentyl)oxolan-2-one (CID 59893654) is 5-(2,4-diethylcyclopentyl)oxolan-2-one.
What is the SMILES notation for 5-(2,4-diethylcyclopentyl)oxolan-2-one?
The canonical SMILES for 5-(2,4-diethylcyclopentyl)oxolan-2-one is CCC1CC(CC)C(C2CCC(=O)O2)C1.
What is the InChIKey of 5-(2,4-diethylcyclopentyl)oxolan-2-one?
The InChIKey is FZTLDAUGOYBRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-9-7-10(4-2)11(8-9)12-5-6-13(14)15-12/h9-12H,3-8H2,1-2H3.
What are the key properties of 5-(2,4-diethylcyclopentyl)oxolan-2-one?
5-(2,4-diethylcyclopentyl)oxolan-2-one has a molecular weight of 210.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-diethylcyclopentyl)oxolan-2-one is sourced from PubChem (CID 59893654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).