2-ethoxyethanol;ethyl acetate

C8H18O4 — CID 22463789

IUPAC2-ethoxyethanol;ethyl acetate
SMILESCCOC(C)=O.CCOCCO
InChIInChI=1S/C4H8O2.C4H10O2/c1-3-6-4(2)5;1-2-6-4-3-5/h3H2,1-2H3;5H,2-4H2,1H3
InChIKeyGEVQWEYVCFTARO-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.58
Rot. Bonds4

About 2-ethoxyethanol;ethyl acetate

2-ethoxyethanol;ethyl acetate (PubChem CID 22463789) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-ethoxyethanol;ethyl acetate.

Molecular Properties

Compound Name2-ethoxyethanol;ethyl acetate
PubChem CID22463789
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name2-ethoxyethanol;ethyl acetate
SMILESCCOC(C)=O.CCOCCO
InChIInChI=1S/C4H8O2.C4H10O2/c1-3-6-4(2)5;1-2-6-4-3-5/h3H2,1-2H3;5H,2-4H2,1H3
InChIKeyGEVQWEYVCFTARO-UHFFFAOYSA-N
XLogP0.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl acetate;2-ethoxyethanol
CID 87069038
ethoxyethane;ethyl acetate
CID 87087849
2-(2-butoxyethoxy)ethanol;ethyl acetate;2-(2-hydroxyethoxy)ethanol
CID 158203924
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
ethoxyethane;ethyl acetate;hydrate
CID 86649789
ethanol;ethyl acetate
CID 173022006
1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate
CID 90282040
2-(2-butoxyethoxy)ethanol;2-(2-ethoxyethoxy)ethyl acetate
CID 161493790
butan-1-ol;ethoxyethane;ethyl acetate
CID 87367562
ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one
CID 146319223
butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87066406
ethanol;ethyl acetate;hydrate
CID 86601158

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanol;ethyl acetate?
The IUPAC name of 2-ethoxyethanol;ethyl acetate (CID 22463789) is 2-ethoxyethanol;ethyl acetate.
What is the SMILES notation for 2-ethoxyethanol;ethyl acetate?
The canonical SMILES for 2-ethoxyethanol;ethyl acetate is CCOC(C)=O.CCOCCO.
What is the InChIKey of 2-ethoxyethanol;ethyl acetate?
The InChIKey is GEVQWEYVCFTARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C4H10O2/c1-3-6-4(2)5;1-2-6-4-3-5/h3H2,1-2H3;5H,2-4H2,1H3.
What are the key properties of 2-ethoxyethanol;ethyl acetate?
2-ethoxyethanol;ethyl acetate has a molecular weight of 178.23 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanol;ethyl acetate is sourced from PubChem (CID 22463789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).