2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol

C8H16O4 — CID 139962593

IUPAC2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol
SMILESCC(OCCOCCO)C1CO1
InChIInChI=1S/C8H16O4/c1-7(8-6-12-8)11-5-4-10-3-2-9/h7-9H,2-6H2,1H3
InChIKeyPFCGTVDFIKDSBA-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.20
Rot. Bonds7

About 2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol

2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol (PubChem CID 139962593) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol
PubChem CID139962593
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol
SMILESCC(OCCOCCO)C1CO1
InChIInChI=1S/C8H16O4/c1-7(8-6-12-8)11-5-4-10-3-2-9/h7-9H,2-6H2,1H3
InChIKeyPFCGTVDFIKDSBA-UHFFFAOYSA-N
XLogP-0.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(oxiran-2-yl)butan-2-ol
CID 18989101
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-(oxiran-2-yl)-2-oxopropanal
CID 88526857
2-[2-(2-hydroxyethoxy)ethoxy]-2-(oxetan-2-yl)ethanol
CID 66745386
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-(oxetan-2-yl)ethanol
CID 66746025
2-[2-[2-[2-(3-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]ethanol
CID 139963056
(2S)-2-[(1R)-1-(2-methylpropoxy)ethyl]oxirane
CID 129452603
2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol
CID 87592876
(2R)-2-[(1R)-1-(2-methylpropoxy)ethyl]oxirane
CID 129452601
2-[2-(1-iodoethoxy)ethoxy]ethanol
CID 87184829
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154070356
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol (CID 139962593) is 2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol is CC(OCCOCCO)C1CO1.
What is the InChIKey of 2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol?
The InChIKey is PFCGTVDFIKDSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-7(8-6-12-8)11-5-4-10-3-2-9/h7-9H,2-6H2,1H3.
What are the key properties of 2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol?
2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol has a molecular weight of 176.21 g/mol, XLogP of -0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(oxiran-2-yl)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 139962593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).