ethyl acetate;ethyl formate;methyl acetate;methyl formate

C12H24O8 — CID 158830981

IUPACethyl acetate;ethyl formate;methyl acetate;methyl formate
SMILESCCOC(C)=O.CCOC=O.COC(C)=O.COC=O
InChIInChI=1S/C4H8O2.2C3H6O2.C2H4O2/c1-3-6-4(2)5;1-3(4)5-2;1-2-5-3-4;1-4-2-3/h3H2,1-2H3;1-2H3;3H,2H2,1H3;2H,1H3
InChIKeyIXARQLQWUUESCV-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.72
Rot. Bonds4

About ethyl acetate;ethyl formate;methyl acetate;methyl formate

ethyl acetate;ethyl formate;methyl acetate;methyl formate (PubChem CID 158830981) has the molecular formula C12H24O8 and a molecular weight of 296.32 g/mol. Its IUPAC name is ethyl acetate;ethyl formate;methyl acetate;methyl formate.

Molecular Properties

Compound Nameethyl acetate;ethyl formate;methyl acetate;methyl formate
PubChem CID158830981
Molecular FormulaC12H24O8
Molecular Weight296.32 g/mol
Exact Mass296.15
IUPAC Nameethyl acetate;ethyl formate;methyl acetate;methyl formate
SMILESCCOC(C)=O.CCOC=O.COC(C)=O.COC=O
InChIInChI=1S/C4H8O2.2C3H6O2.C2H4O2/c1-3-6-4(2)5;1-3(4)5-2;1-2-5-3-4;1-4-2-3/h3H2,1-2H3;1-2H3;3H,2H2,1H3;2H,1H3
InChIKeyIXARQLQWUUESCV-UHFFFAOYSA-N
XLogP0.72
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

magnesium;ethyl acetate;dihydroxide
CID 174721509
lithium;ethyl acetate;hydroxide;hydrate
CID 174848728
sodium;ethyl acetate;hydroxide;hydrate
CID 174492243
dimethyl (Z)-but-2-enedioate;ethyl acetate
CID 174859797
ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;tetrahydrate
CID 173019761
ethyl acetate;λ2-plumbane
CID 173068495
ethyl formate;methanol
CID 87496134
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;ethyl formate;methyl acetate;methyl formate?
The IUPAC name of ethyl acetate;ethyl formate;methyl acetate;methyl formate (CID 158830981) is ethyl acetate;ethyl formate;methyl acetate;methyl formate.
What is the SMILES notation for ethyl acetate;ethyl formate;methyl acetate;methyl formate?
The canonical SMILES for ethyl acetate;ethyl formate;methyl acetate;methyl formate is CCOC(C)=O.CCOC=O.COC(C)=O.COC=O.
What is the InChIKey of ethyl acetate;ethyl formate;methyl acetate;methyl formate?
The InChIKey is IXARQLQWUUESCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.2C3H6O2.C2H4O2/c1-3-6-4(2)5;1-3(4)5-2;1-2-5-3-4;1-4-2-3/h3H2,1-2H3;1-2H3;3H,2H2,1H3;2H,1H3.
What are the key properties of ethyl acetate;ethyl formate;methyl acetate;methyl formate?
ethyl acetate;ethyl formate;methyl acetate;methyl formate has a molecular weight of 296.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;ethyl formate;methyl acetate;methyl formate is sourced from PubChem (CID 158830981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).