1-ethoxyethenyl acetate

C6H10O3 — CID 11815380

IUPAC1-ethoxyethenyl acetate
SMILESC=C(OCC)OC(C)=O
InChIInChI=1S/C6H10O3/c1-4-8-6(3)9-5(2)7/h3-4H2,1-2H3
InChIKeyNPJNWZWXHBINFR-UHFFFAOYSA-N
MW130.14 g/mol
LogP1.06
Rot. Bonds3

About 1-ethoxyethenyl acetate

1-ethoxyethenyl acetate (PubChem CID 11815380) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 1-ethoxyethenyl acetate.

Molecular Properties

Compound Name1-ethoxyethenyl acetate
PubChem CID11815380
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name1-ethoxyethenyl acetate
SMILESC=C(OCC)OC(C)=O
InChIInChI=1S/C6H10O3/c1-4-8-6(3)9-5(2)7/h3-4H2,1-2H3
InChIKeyNPJNWZWXHBINFR-UHFFFAOYSA-N
XLogP1.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.06
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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Related Compounds

Vinylidene diacetate
CID 81698
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
Ethyl 1-methoxyethenyl carbonate
CID 12632739
Acetic acid, anhydride with ethyl hydrogen carbonate
CID 13486066
Ethyl vinyl carbonate
CID 13668430
2-methoxy-Vinyl acetate
CID 57237042
1,3-Dioxol-2-one;ethenyl acetate
CID 66777759
2,2-Diethoxyethenone
CID 90799620

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethenyl acetate?
The IUPAC name of 1-ethoxyethenyl acetate (CID 11815380) is 1-ethoxyethenyl acetate.
What is the SMILES notation for 1-ethoxyethenyl acetate?
The canonical SMILES for 1-ethoxyethenyl acetate is C=C(OCC)OC(C)=O.
What is the InChIKey of 1-ethoxyethenyl acetate?
The InChIKey is NPJNWZWXHBINFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-4-8-6(3)9-5(2)7/h3-4H2,1-2H3.
What are the key properties of 1-ethoxyethenyl acetate?
1-ethoxyethenyl acetate has a molecular weight of 130.14 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethenyl acetate is sourced from PubChem (CID 11815380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).