5-[2-[2-[2-(5-oxooxolan-2-yl)ethoxy]ethoxy]ethyl]oxolan-2-one

C14H22O6 — CID 21303508

IUPAC5-[2-[2-[2-(5-oxooxolan-2-yl)ethoxy]ethoxy]ethyl]oxolan-2-one
SMILESO=C1CCC(CCOCCOCCC2CCC(=O)O2)O1
InChIInChI=1S/C14H22O6/c15-13-3-1-11(19-13)5-7-17-9-10-18-8-6-12-2-4-14(16)20-12/h11-12H,1-10H2
InChIKeyXPQVMLCDGPOSQG-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.21
Rot. Bonds9

About 5-[2-[2-[2-(5-oxooxolan-2-yl)ethoxy]ethoxy]ethyl]oxolan-2-one

5-[2-[2-[2-(5-oxooxolan-2-yl)ethoxy]ethoxy]ethyl]oxolan-2-one (PubChem CID 21303508) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is 5-[2-[2-[2-(5-oxooxolan-2-yl)ethoxy]ethoxy]ethyl]oxolan-2-one.

Molecular Properties

Compound Name5-[2-[2-[2-(5-oxooxolan-2-yl)ethoxy]ethoxy]ethyl]oxolan-2-one
PubChem CID21303508
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name5-[2-[2-[2-(5-oxooxolan-2-yl)ethoxy]ethoxy]ethyl]oxolan-2-one
SMILESO=C1CCC(CCOCCOCCC2CCC(=O)O2)O1
InChIInChI=1S/C14H22O6/c15-13-3-1-11(19-13)5-7-17-9-10-18-8-6-12-2-4-14(16)20-12/h11-12H,1-10H2
InChIKeyXPQVMLCDGPOSQG-UHFFFAOYSA-N
XLogP1.21
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-(5-oxooxolan-2-yl)ethoxy]ethoxy]ethyl]oxolan-2-one?
The IUPAC name of 5-[2-[2-[2-(5-oxooxolan-2-yl)ethoxy]ethoxy]ethyl]oxolan-2-one (CID 21303508) is 5-[2-[2-[2-(5-oxooxolan-2-yl)ethoxy]ethoxy]ethyl]oxolan-2-one.
What is the SMILES notation for 5-[2-[2-[2-(5-oxooxolan-2-yl)ethoxy]ethoxy]ethyl]oxolan-2-one?
The canonical SMILES for 5-[2-[2-[2-(5-oxooxolan-2-yl)ethoxy]ethoxy]ethyl]oxolan-2-one is O=C1CCC(CCOCCOCCC2CCC(=O)O2)O1.
What is the InChIKey of 5-[2-[2-[2-(5-oxooxolan-2-yl)ethoxy]ethoxy]ethyl]oxolan-2-one?
The InChIKey is XPQVMLCDGPOSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6/c15-13-3-1-11(19-13)5-7-17-9-10-18-8-6-12-2-4-14(16)20-12/h11-12H,1-10H2.
What are the key properties of 5-[2-[2-[2-(5-oxooxolan-2-yl)ethoxy]ethoxy]ethyl]oxolan-2-one?
5-[2-[2-[2-(5-oxooxolan-2-yl)ethoxy]ethoxy]ethyl]oxolan-2-one has a molecular weight of 286.32 g/mol, XLogP of 1.21, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-(5-oxooxolan-2-yl)ethoxy]ethoxy]ethyl]oxolan-2-one is sourced from PubChem (CID 21303508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).