1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate

C11H20O8 — CID 89311377

IUPAC1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
SMILESCOCCOCCOC(=O)C(=O)OCCOCCO
InChIInChI=1S/C11H20O8/c1-15-4-5-17-7-9-19-11(14)10(13)18-8-6-16-3-2-12/h12H,2-9H2,1H3
InChIKeyRQEIYIXYUPXHBU-UHFFFAOYSA-N
MW280.27 g/mol
LogP-1.26
Rot. Bonds11

About 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate

1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate (PubChem CID 89311377) has the molecular formula C11H20O8 and a molecular weight of 280.27 g/mol. Its IUPAC name is 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate.

Molecular Properties

Compound Name1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
PubChem CID89311377
Molecular FormulaC11H20O8
Molecular Weight280.27 g/mol
Exact Mass280.12
IUPAC Name1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
SMILESCOCCOCCOC(=O)C(=O)OCCOCCO
InChIInChI=1S/C11H20O8/c1-15-4-5-17-7-9-19-11(14)10(13)18-8-6-16-3-2-12/h12H,2-9H2,1H3
InChIKeyRQEIYIXYUPXHBU-UHFFFAOYSA-N
XLogP-1.26
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-methoxyethanol;2-(2-methoxyethoxy)ethanol
CID 87975598
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;hydroiodide
CID 88616948
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methoxyprop-2-enoate
CID 175188156
bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate
CID 58362019
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
diethyl carbonate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174866576
2-(2-hydroxyethoxy)ethanol;methoxyethane;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 175424944
2-(2-hydroxyethoxy)ethanol;methoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174794611
ethane-1,2-diol;2-methoxyethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 161198801
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate
CID 88500447
2-(2-hydroxyethoxy)ethyl 3-methoxy-2-methylprop-2-enoate
CID 90970805

Frequently Asked Questions

What is the IUPAC name of 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate?
The IUPAC name of 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate (CID 89311377) is 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate.
What is the SMILES notation for 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate?
The canonical SMILES for 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate is COCCOCCOC(=O)C(=O)OCCOCCO.
What is the InChIKey of 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate?
The InChIKey is RQEIYIXYUPXHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O8/c1-15-4-5-17-7-9-19-11(14)10(13)18-8-6-16-3-2-12/h12H,2-9H2,1H3.
What are the key properties of 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate?
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate has a molecular weight of 280.27 g/mol, XLogP of -1.26, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate is sourced from PubChem (CID 89311377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).