2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene

C13H31NO6 — CID 88669907

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene
SMILESC=CC.OCCNCCO.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C4H11NO2.C3H6/c7-1-3-9-5-6-10-4-2-8;6-3-1-5-2-4-7;1-3-2/h7-8H,1-6H2;5-7H,1-4H2;3H,1H2,2H3
InChIKeyVTCIEMMGLBKCPG-UHFFFAOYSA-N
MW297.39 g/mol
LogP-1.24
Rot. Bonds11

About 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene (PubChem CID 88669907) has the molecular formula C13H31NO6 and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene
PubChem CID88669907
Molecular FormulaC13H31NO6
Molecular Weight297.39 g/mol
Exact Mass297.22
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene
SMILESC=CC.OCCNCCO.OCCOCCOCCO
InChIInChI=1S/C6H14O4.C4H11NO2.C3H6/c7-1-3-9-5-6-10-4-2-8;6-3-1-5-2-4-7;1-3-2/h7-8H,1-6H2;5-7H,1-4H2;3H,1H2,2H3
InChIKeyVTCIEMMGLBKCPG-UHFFFAOYSA-N
XLogP-1.24
TPSA111.41 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 5-1.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene (CID 88669907) is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene is C=CC.OCCNCCO.OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene?
The InChIKey is VTCIEMMGLBKCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C4H11NO2.C3H6/c7-1-3-9-5-6-10-4-2-8;6-3-1-5-2-4-7;1-3-2/h7-8H,1-6H2;5-7H,1-4H2;3H,1H2,2H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene?
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene has a molecular weight of 297.39 g/mol, XLogP of -1.24, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene is sourced from PubChem (CID 88669907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).