ethoxyethane;ethyl acetate

C12H28O4 — CID 87087849

IUPACethoxyethane;ethyl acetate
SMILESCCOC(C)=O.CCOCC.CCOCC
InChIInChI=1S/C4H8O2.2C4H10O/c1-3-6-4(2)5;2*1-3-5-4-2/h3H2,1-2H3;2*3-4H2,1-2H3
InChIKeyFHMMJTVRPGJXPL-UHFFFAOYSA-N
MW236.35 g/mol
LogP2.65
Rot. Bonds5

About ethoxyethane;ethyl acetate

ethoxyethane;ethyl acetate (PubChem CID 87087849) has the molecular formula C12H28O4 and a molecular weight of 236.35 g/mol. Its IUPAC name is ethoxyethane;ethyl acetate.

Molecular Properties

Compound Nameethoxyethane;ethyl acetate
PubChem CID87087849
Molecular FormulaC12H28O4
Molecular Weight236.35 g/mol
Exact Mass236.20
IUPAC Nameethoxyethane;ethyl acetate
SMILESCCOC(C)=O.CCOCC.CCOCC
InChIInChI=1S/C4H8O2.2C4H10O/c1-3-6-4(2)5;2*1-3-5-4-2/h3H2,1-2H3;2*3-4H2,1-2H3
InChIKeyFHMMJTVRPGJXPL-UHFFFAOYSA-N
XLogP2.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethoxyethane;ethyl acetate;hydrate
CID 86649789
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;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
CID 157409555
CID 157409555

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;ethyl acetate?
The IUPAC name of ethoxyethane;ethyl acetate (CID 87087849) is ethoxyethane;ethyl acetate.
What is the SMILES notation for ethoxyethane;ethyl acetate?
The canonical SMILES for ethoxyethane;ethyl acetate is CCOC(C)=O.CCOCC.CCOCC.
What is the InChIKey of ethoxyethane;ethyl acetate?
The InChIKey is FHMMJTVRPGJXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.2C4H10O/c1-3-6-4(2)5;2*1-3-5-4-2/h3H2,1-2H3;2*3-4H2,1-2H3.
What are the key properties of ethoxyethane;ethyl acetate?
ethoxyethane;ethyl acetate has a molecular weight of 236.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;ethyl acetate is sourced from PubChem (CID 87087849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).