ethenyl acetate;methoxyethene

C7H12O3 — CID 18921270

IUPACethenyl acetate;methoxyethene
SMILESC=COC.C=COC(C)=O
InChIInChI=1S/C4H6O2.C3H6O/c1-3-6-4(2)5;1-3-4-2/h3H,1H2,2H3;3H,1H2,2H3
InChIKeyTYCLOJMOMLKEGU-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.47
Rot. Bonds2

About ethenyl acetate;methoxyethene

ethenyl acetate;methoxyethene (PubChem CID 18921270) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is ethenyl acetate;methoxyethene.

Molecular Properties

Compound Nameethenyl acetate;methoxyethene
PubChem CID18921270
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Nameethenyl acetate;methoxyethene
SMILESC=COC.C=COC(C)=O
InChIInChI=1S/C4H6O2.C3H6O/c1-3-6-4(2)5;1-3-4-2/h3H,1H2,2H3;3H,1H2,2H3
InChIKeyTYCLOJMOMLKEGU-UHFFFAOYSA-N
XLogP1.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;methoxyethene?
The IUPAC name of ethenyl acetate;methoxyethene (CID 18921270) is ethenyl acetate;methoxyethene.
What is the SMILES notation for ethenyl acetate;methoxyethene?
The canonical SMILES for ethenyl acetate;methoxyethene is C=COC.C=COC(C)=O.
What is the InChIKey of ethenyl acetate;methoxyethene?
The InChIKey is TYCLOJMOMLKEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H6O/c1-3-6-4(2)5;1-3-4-2/h3H,1H2,2H3;3H,1H2,2H3.
What are the key properties of ethenyl acetate;methoxyethene?
ethenyl acetate;methoxyethene has a molecular weight of 144.17 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;methoxyethene is sourced from PubChem (CID 18921270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).