[(E)-2-ethoxyethenyl] acetate

C6H10O3 — CID 5365428

IUPAC[(E)-2-ethoxyethenyl] acetate
SMILESCCO/C=C/OC(C)=O
InChIInChI=1S/C6H10O3/c1-3-8-4-5-9-6(2)7/h4-5H,3H2,1-2H3/b5-4+
InChIKeyRDQQZSMXQAMRFQ-SNAWJCMRSA-N
MW130.14 g/mol
LogP1.06
Rot. Bonds3

About [(E)-2-ethoxyethenyl] acetate

[(E)-2-ethoxyethenyl] acetate (PubChem CID 5365428) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is [(E)-2-ethoxyethenyl] acetate.

Molecular Properties

Compound Name[(E)-2-ethoxyethenyl] acetate
PubChem CID5365428
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name[(E)-2-ethoxyethenyl] acetate
SMILESCCO/C=C/OC(C)=O
InChIInChI=1S/C6H10O3/c1-3-8-4-5-9-6(2)7/h4-5H,3H2,1-2H3/b5-4+
InChIKeyRDQQZSMXQAMRFQ-SNAWJCMRSA-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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Frequently Asked Questions

What is the IUPAC name of [(E)-2-ethoxyethenyl] acetate?
The IUPAC name of [(E)-2-ethoxyethenyl] acetate (CID 5365428) is [(E)-2-ethoxyethenyl] acetate.
What is the SMILES notation for [(E)-2-ethoxyethenyl] acetate?
The canonical SMILES for [(E)-2-ethoxyethenyl] acetate is CCO/C=C/OC(C)=O.
What is the InChIKey of [(E)-2-ethoxyethenyl] acetate?
The InChIKey is RDQQZSMXQAMRFQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-8-4-5-9-6(2)7/h4-5H,3H2,1-2H3/b5-4+.
What are the key properties of [(E)-2-ethoxyethenyl] acetate?
[(E)-2-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 [(E)-2-ethoxyethenyl] acetate is sourced from PubChem (CID 5365428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).