4-[2-(2,4-diethylcyclopentyl)ethyl]oxolan-2-one

C15H26O2 — CID 59893655

IUPAC4-[2-(2,4-diethylcyclopentyl)ethyl]oxolan-2-one
SMILESCCC1CC(CC)C(CCC2COC(=O)C2)C1
InChIInChI=1S/C15H26O2/c1-3-11-7-13(4-2)14(8-11)6-5-12-9-15(16)17-10-12/h11-14H,3-10H2,1-2H3
InChIKeyXJGGMJXWHHJFFZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.79
Rot. Bonds5

About 4-[2-(2,4-diethylcyclopentyl)ethyl]oxolan-2-one

4-[2-(2,4-diethylcyclopentyl)ethyl]oxolan-2-one (PubChem CID 59893655) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-[2-(2,4-diethylcyclopentyl)ethyl]oxolan-2-one.

Molecular Properties

Compound Name4-[2-(2,4-diethylcyclopentyl)ethyl]oxolan-2-one
PubChem CID59893655
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name4-[2-(2,4-diethylcyclopentyl)ethyl]oxolan-2-one
SMILESCCC1CC(CC)C(CCC2COC(=O)C2)C1
InChIInChI=1S/C15H26O2/c1-3-11-7-13(4-2)14(8-11)6-5-12-9-15(16)17-10-12/h11-14H,3-10H2,1-2H3
InChIKeyXJGGMJXWHHJFFZ-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-diethylcyclopentyl)ethyl]oxolan-2-one?
The IUPAC name of 4-[2-(2,4-diethylcyclopentyl)ethyl]oxolan-2-one (CID 59893655) is 4-[2-(2,4-diethylcyclopentyl)ethyl]oxolan-2-one.
What is the SMILES notation for 4-[2-(2,4-diethylcyclopentyl)ethyl]oxolan-2-one?
The canonical SMILES for 4-[2-(2,4-diethylcyclopentyl)ethyl]oxolan-2-one is CCC1CC(CC)C(CCC2COC(=O)C2)C1.
What is the InChIKey of 4-[2-(2,4-diethylcyclopentyl)ethyl]oxolan-2-one?
The InChIKey is XJGGMJXWHHJFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-11-7-13(4-2)14(8-11)6-5-12-9-15(16)17-10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-[2-(2,4-diethylcyclopentyl)ethyl]oxolan-2-one?
4-[2-(2,4-diethylcyclopentyl)ethyl]oxolan-2-one has a molecular weight of 238.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-diethylcyclopentyl)ethyl]oxolan-2-one is sourced from PubChem (CID 59893655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).