2-methoxyethenyl acetate

C5H8O3 — CID 57237042

IUPAC2-methoxyethenyl acetate
SMILESCOC=COC(C)=O
InChIInChI=1S/C5H8O3/c1-5(6)8-4-3-7-2/h3-4H,1-2H3
InChIKeyYDNVDUXXZZLBPG-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.67
Rot. Bonds2

About 2-methoxyethenyl acetate

2-methoxyethenyl acetate (PubChem CID 57237042) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-methoxyethenyl acetate.

Molecular Properties

Compound Name2-methoxyethenyl acetate
PubChem CID57237042
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name2-methoxyethenyl acetate
SMILESCOC=COC(C)=O
InChIInChI=1S/C5H8O3/c1-5(6)8-4-3-7-2/h3-4H,1-2H3
InChIKeyYDNVDUXXZZLBPG-UHFFFAOYSA-N
XLogP0.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethenyl acetate?
The IUPAC name of 2-methoxyethenyl acetate (CID 57237042) is 2-methoxyethenyl acetate.
What is the SMILES notation for 2-methoxyethenyl acetate?
The canonical SMILES for 2-methoxyethenyl acetate is COC=COC(C)=O.
What is the InChIKey of 2-methoxyethenyl acetate?
The InChIKey is YDNVDUXXZZLBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3/c1-5(6)8-4-3-7-2/h3-4H,1-2H3.
What are the key properties of 2-methoxyethenyl acetate?
2-methoxyethenyl acetate has a molecular weight of 116.12 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethenyl acetate is sourced from PubChem (CID 57237042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).