ethenoxymethyl acetate

C5H8O3 — CID 54090433

IUPACethenoxymethyl acetate
SMILESC=COCOC(C)=O
InChIInChI=1S/C5H8O3/c1-3-7-4-8-5(2)6/h3H,1,4H2,2H3
InChIKeyMTLXSUCXWZGPKN-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.67
Rot. Bonds3

About ethenoxymethyl acetate

ethenoxymethyl acetate (PubChem CID 54090433) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is ethenoxymethyl acetate.

Molecular Properties

Compound Nameethenoxymethyl acetate
PubChem CID54090433
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Nameethenoxymethyl acetate
SMILESC=COCOC(C)=O
InChIInChI=1S/C5H8O3/c1-3-7-4-8-5(2)6/h3H,1,4H2,2H3
InChIKeyMTLXSUCXWZGPKN-UHFFFAOYSA-N
XLogP0.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl vinyl orthoformate
CID 71311029
Carbon monoxide;ethene;ethenyl acetate
CID 168517
Ethene;ethenyl acetate
CID 175988
Ethenol, 2-ethoxy-, acetate
CID 5365428
[(Z)-2-ethoxyethenyl] acetate
CID 11083912
2-Ethoxyvinyl acetate
CID 548203
1-Ethoxyethenyl acetate
CID 11815380
Ethyl vinyl carbonate
CID 13668430
Ethoxymethyl vinyl ether
CID 21189113
2-methoxy-Vinyl acetate
CID 57237042
1,3-Dioxol-2-one;ethenyl acetate
CID 66777759
Ethoxymethyl acetate
CID 10877092

Frequently Asked Questions

What is the IUPAC name of ethenoxymethyl acetate?
The IUPAC name of ethenoxymethyl acetate (CID 54090433) is ethenoxymethyl acetate.
What is the SMILES notation for ethenoxymethyl acetate?
The canonical SMILES for ethenoxymethyl acetate is C=COCOC(C)=O.
What is the InChIKey of ethenoxymethyl acetate?
The InChIKey is MTLXSUCXWZGPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-7-4-8-5(2)6/h3H,1,4H2,2H3.
What are the key properties of ethenoxymethyl acetate?
ethenoxymethyl acetate has a molecular weight of 116.12 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxymethyl acetate is sourced from PubChem (CID 54090433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).