2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one

C12H25NO6 — CID 158204232

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one
SMILESO=C1CCCN1.OCCOCCOCCOCCO
InChIInChI=1S/C8H18O5.C4H7NO/c9-1-3-11-5-7-13-8-6-12-4-2-10;6-4-2-1-3-5-4/h9-10H,1-8H2;1-3H2,(H,5,6)
InChIKeyGBHLIBGPCVXOGA-UHFFFAOYSA-N
MW279.33 g/mol
LogP-1.08
Rot. Bonds10

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one (PubChem CID 158204232) has the molecular formula C12H25NO6 and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one
PubChem CID158204232
Molecular FormulaC12H25NO6
Molecular Weight279.33 g/mol
Exact Mass279.17
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one
SMILESO=C1CCCN1.OCCOCCOCCOCCO
InChIInChI=1S/C8H18O5.C4H7NO/c9-1-3-11-5-7-13-8-6-12-4-2-10;6-4-2-1-3-5-4/h9-10H,1-8H2;1-3H2,(H,5,6)
InChIKeyGBHLIBGPCVXOGA-UHFFFAOYSA-N
XLogP-1.08
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one
CID 160933786
2-butoxyethanol;pyrrolidin-2-one
CID 68900014
ethane-1,2-diol;ethene;pyrrolidin-2-one
CID 69133402
arsane;pyrrolidin-2-one
CID 174413202
astatane;pyrrolidin-2-one
CID 174831438
pyrrolidin-2-one;hydrate
CID 19382566
propane-1,2,3-triol;pyrrolidin-2-one
CID 23046607
ethene;pyrrolidin-2-one
CID 18949514
ethane;pyrrolidin-2-one
CID 54451151
ethene;bis(pyrrolidin-2-one)
CID 67822125
magnesium;pyrrolidin-2-one;dibromide
CID 67853208
sodium;carbonic acid;pyrrolidin-2-one
CID 19352761

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one (CID 158204232) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one is O=C1CCCN1.OCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one?
The InChIKey is GBHLIBGPCVXOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5.C4H7NO/c9-1-3-11-5-7-13-8-6-12-4-2-10;6-4-2-1-3-5-4/h9-10H,1-8H2;1-3H2,(H,5,6).
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one?
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one has a molecular weight of 279.33 g/mol, XLogP of -1.08, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one is sourced from PubChem (CID 158204232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).