3-[2-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one

C15H26O3 — CID 20608171

IUPAC3-[2-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one
SMILESCCC1CC(CC)C(CC(O)C2CCOC2=O)C1
InChIInChI=1S/C15H26O3/c1-3-10-7-11(4-2)12(8-10)9-14(16)13-5-6-18-15(13)17/h10-14,16H,3-9H2,1-2H3
InChIKeyXUUZBUCKGDPHML-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.76
Rot. Bonds5

About 3-[2-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one

3-[2-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one (PubChem CID 20608171) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[2-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one.

Molecular Properties

Compound Name3-[2-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one
PubChem CID20608171
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name3-[2-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one
SMILESCCC1CC(CC)C(CC(O)C2CCOC2=O)C1
InChIInChI=1S/C15H26O3/c1-3-10-7-11(4-2)12(8-10)9-14(16)13-5-6-18-15(13)17/h10-14,16H,3-9H2,1-2H3
InChIKeyXUUZBUCKGDPHML-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one?
The IUPAC name of 3-[2-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one (CID 20608171) is 3-[2-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one.
What is the SMILES notation for 3-[2-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one?
The canonical SMILES for 3-[2-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one is CCC1CC(CC)C(CC(O)C2CCOC2=O)C1.
What is the InChIKey of 3-[2-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one?
The InChIKey is XUUZBUCKGDPHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-10-7-11(4-2)12(8-10)9-14(16)13-5-6-18-15(13)17/h10-14,16H,3-9H2,1-2H3.
What are the key properties of 3-[2-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one?
3-[2-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one has a molecular weight of 254.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-diethylcyclopentyl)-1-hydroxyethyl]oxolan-2-one is sourced from PubChem (CID 20608171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).