ethenyl acetate;formic acid

C9H14O6 — CID 175608061

IUPACethenyl acetate;formic acid
SMILESC=COC(C)=O.C=COC(C)=O.O=CO
InChIInChI=1S/2C4H6O2.CH2O2/c2*1-3-6-4(2)5;2-1-3/h2*3H,1H2,2H3;1H,(H,2,3)
InChIKeyJLRYRSONJKETOJ-UHFFFAOYSA-N
MW218.20 g/mol
LogP1.09
Rot. Bonds2

About ethenyl acetate;formic acid

ethenyl acetate;formic acid (PubChem CID 175608061) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is ethenyl acetate;formic acid.

Molecular Properties

Compound Nameethenyl acetate;formic acid
PubChem CID175608061
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Nameethenyl acetate;formic acid
SMILESC=COC(C)=O.C=COC(C)=O.O=CO
InChIInChI=1S/2C4H6O2.CH2O2/c2*1-3-6-4(2)5;2-1-3/h2*3H,1H2,2H3;1H,(H,2,3)
InChIKeyJLRYRSONJKETOJ-UHFFFAOYSA-N
XLogP1.09
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethenyl acetate
CID 7904
ethene;ethenyl acetate;hydrofluoride
CID 158693082
ethenyl acetate;methoxyethene
CID 18921270
ethenyl acetate;ethenyl formate
CID 19370025
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CID 22321303
CID 22321303
ethanol;ethenyl acetate
CID 87099759
ethenyl acetate;oxalonitrile
CID 174923759
dichloromethane;ethenyl acetate
CID 86614662
bis((Z)-but-2-enedioic acid);ethenyl acetate
CID 172778933
acetic acid;acetyl acetate;ethenyl acetate
CID 158501483
tris(benzene-1,2,3,4,5,6-hexacarboxylic acid);ethenyl acetate
CID 174249995

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;formic acid?
The IUPAC name of ethenyl acetate;formic acid (CID 175608061) is ethenyl acetate;formic acid.
What is the SMILES notation for ethenyl acetate;formic acid?
The canonical SMILES for ethenyl acetate;formic acid is C=COC(C)=O.C=COC(C)=O.O=CO.
What is the InChIKey of ethenyl acetate;formic acid?
The InChIKey is JLRYRSONJKETOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O2.CH2O2/c2*1-3-6-4(2)5;2-1-3/h2*3H,1H2,2H3;1H,(H,2,3).
What are the key properties of ethenyl acetate;formic acid?
ethenyl acetate;formic acid has a molecular weight of 218.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;formic acid is sourced from PubChem (CID 175608061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).