ethenyl acetate;ethyl butanoate

C10H18O4 — CID 174534174

IUPACethenyl acetate;ethyl butanoate
SMILESC=COC(C)=O.CCCC(=O)OCC
InChIInChI=1S/C6H12O2.C4H6O2/c1-3-5-6(7)8-4-2;1-3-6-4(2)5/h3-5H2,1-2H3;3H,1H2,2H3
InChIKeyQJACKJGSQIMIFE-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.04
Rot. Bonds4

About ethenyl acetate;ethyl butanoate

ethenyl acetate;ethyl butanoate (PubChem CID 174534174) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethenyl acetate;ethyl butanoate.

Molecular Properties

Compound Nameethenyl acetate;ethyl butanoate
PubChem CID174534174
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethenyl acetate;ethyl butanoate
SMILESC=COC(C)=O.CCCC(=O)OCC
InChIInChI=1S/C6H12O2.C4H6O2/c1-3-5-6(7)8-4-2;1-3-6-4(2)5/h3-5H2,1-2H3;3H,1H2,2H3
InChIKeyQJACKJGSQIMIFE-UHFFFAOYSA-N
XLogP2.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
butane-2,3-dione;ethyl butanoate
CID 158568600
carbonic acid;diethyl carbonate;ethenyl acetate
CID 174977930
ethyl butanoate;formic acid
CID 160963123
ethanol;ethenyl acetate
CID 87099759
ethenyl acetate
CID 7904
ethanol;ethenyl butanoate
CID 87410894
ethenyl acetate;octadecane
CID 161470611
ethenyl acetate;heptane
CID 19104449
ethyl butanoate;ethyl propanoate
CID 159309203
butane-1,4-diol;ethenyl butanoate
CID 159135877

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;ethyl butanoate?
The IUPAC name of ethenyl acetate;ethyl butanoate (CID 174534174) is ethenyl acetate;ethyl butanoate.
What is the SMILES notation for ethenyl acetate;ethyl butanoate?
The canonical SMILES for ethenyl acetate;ethyl butanoate is C=COC(C)=O.CCCC(=O)OCC.
What is the InChIKey of ethenyl acetate;ethyl butanoate?
The InChIKey is QJACKJGSQIMIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H6O2/c1-3-5-6(7)8-4-2;1-3-6-4(2)5/h3-5H2,1-2H3;3H,1H2,2H3.
What are the key properties of ethenyl acetate;ethyl butanoate?
ethenyl acetate;ethyl butanoate has a molecular weight of 202.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;ethyl butanoate is sourced from PubChem (CID 174534174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).