2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one

C13H29NO8 — CID 160933786

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one
SMILESO=C1CCCN1.OCC(O)CO.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C4H7NO.C3H8O3/c7-1-3-9-5-6-10-4-2-8;6-4-2-1-3-5-4;4-1-3(6)2-5/h7-8H,1-6H2;1-3H2,(H,5,6);3-6H,1-2H2
InChIKeySTPMNGVCDQMQKN-UHFFFAOYSA-N
MW327.37 g/mol
LogP-2.77
Rot. Bonds9

About 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one (PubChem CID 160933786) has the molecular formula C13H29NO8 and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one
PubChem CID160933786
Molecular FormulaC13H29NO8
Molecular Weight327.37 g/mol
Exact Mass327.19
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one
SMILESO=C1CCCN1.OCC(O)CO.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C4H7NO.C3H8O3/c7-1-3-9-5-6-10-4-2-8;6-4-2-1-3-5-4;4-1-3(6)2-5/h7-8H,1-6H2;1-3H2,(H,5,6);3-6H,1-2H2
InChIKeySTPMNGVCDQMQKN-UHFFFAOYSA-N
XLogP-2.77
TPSA148.71 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.37
LogP ≤ 5-2.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;pyrrolidin-2-one
CID 158204232
propane-1,2,3-triol;pyrrolidin-2-one
CID 23046607
azepan-2-one;propane-1,2,3-triol
CID 67586628
2-butoxyethanol;pyrrolidin-2-one
CID 68900014
ethane-1,2-diol;ethene;pyrrolidin-2-one
CID 69133402
ethenyl 2-methylprop-2-enoate;propane-1,2,3-triol;pyrrolidin-2-one
CID 22153662
arsane;pyrrolidin-2-one
CID 174413202
astatane;pyrrolidin-2-one
CID 174831438
2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol
CID 161125126
ethene;pyrrolidin-2-one
CID 18949514
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-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one (CID 160933786) is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one is O=C1CCCN1.OCC(O)CO.OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one?
The InChIKey is STPMNGVCDQMQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C4H7NO.C3H8O3/c7-1-3-9-5-6-10-4-2-8;6-4-2-1-3-5-4;4-1-3(6)2-5/h7-8H,1-6H2;1-3H2,(H,5,6);3-6H,1-2H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one?
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one has a molecular weight of 327.37 g/mol, XLogP of -2.77, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;pyrrolidin-2-one is sourced from PubChem (CID 160933786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).