1,2-dimethoxyethane;ethyl acetate

C8H18O4 — CID 87198031

IUPAC1,2-dimethoxyethane;ethyl acetate
SMILESCCOC(C)=O.COCCOC
InChIInChI=1S/C4H10O2.C4H8O2/c1-5-3-4-6-2;1-3-6-4(2)5/h3-4H2,1-2H3;3H2,1-2H3
InChIKeyGHYCDQZHLJYSRX-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.85
Rot. Bonds4

About 1,2-dimethoxyethane;ethyl acetate

1,2-dimethoxyethane;ethyl acetate (PubChem CID 87198031) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1,2-dimethoxyethane;ethyl acetate.

Molecular Properties

Compound Name1,2-dimethoxyethane;ethyl acetate
PubChem CID87198031
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name1,2-dimethoxyethane;ethyl acetate
SMILESCCOC(C)=O.COCCOC
InChIInChI=1S/C4H10O2.C4H8O2/c1-5-3-4-6-2;1-3-6-4(2)5/h3-4H2,1-2H3;3H2,1-2H3
InChIKeyGHYCDQZHLJYSRX-UHFFFAOYSA-N
XLogP0.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl acetate;methoxyethane;propane
CID 159041410
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
CID 157409555
CID 157409555

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;ethyl acetate?
The IUPAC name of 1,2-dimethoxyethane;ethyl acetate (CID 87198031) is 1,2-dimethoxyethane;ethyl acetate.
What is the SMILES notation for 1,2-dimethoxyethane;ethyl acetate?
The canonical SMILES for 1,2-dimethoxyethane;ethyl acetate is CCOC(C)=O.COCCOC.
What is the InChIKey of 1,2-dimethoxyethane;ethyl acetate?
The InChIKey is GHYCDQZHLJYSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C4H8O2/c1-5-3-4-6-2;1-3-6-4(2)5/h3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of 1,2-dimethoxyethane;ethyl acetate?
1,2-dimethoxyethane;ethyl acetate has a molecular weight of 178.23 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;ethyl acetate is sourced from PubChem (CID 87198031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).