[(E)-6-acetyloxyhex-4-enyl] acetate

C10H16O4 — CID 6148047

IUPAC[(E)-6-acetyloxyhex-4-enyl] acetate
SMILESCC(=O)OC/C=C/CCCOC(C)=O
InChIInChI=1S/C10H16O4/c1-9(11)13-7-5-3-4-6-8-14-10(2)12/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKeyNYJISFRHMZRGHL-HWKANZROSA-N
MW200.23 g/mol
LogP1.45
Rot. Bonds6

About [(E)-6-acetyloxyhex-4-enyl] acetate

[(E)-6-acetyloxyhex-4-enyl] acetate (PubChem CID 6148047) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is [(E)-6-acetyloxyhex-4-enyl] acetate.

Molecular Properties

Compound Name[(E)-6-acetyloxyhex-4-enyl] acetate
PubChem CID6148047
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name[(E)-6-acetyloxyhex-4-enyl] acetate
SMILESCC(=O)OC/C=C/CCCOC(C)=O
InChIInChI=1S/C10H16O4/c1-9(11)13-7-5-3-4-6-8-14-10(2)12/h3,5H,4,6-8H2,1-2H3/b5-3+
InChIKeyNYJISFRHMZRGHL-HWKANZROSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-6-acetyloxyhex-4-enyl] acetate?
The IUPAC name of [(E)-6-acetyloxyhex-4-enyl] acetate (CID 6148047) is [(E)-6-acetyloxyhex-4-enyl] acetate.
What is the SMILES notation for [(E)-6-acetyloxyhex-4-enyl] acetate?
The canonical SMILES for [(E)-6-acetyloxyhex-4-enyl] acetate is CC(=O)OC/C=C/CCCOC(C)=O.
What is the InChIKey of [(E)-6-acetyloxyhex-4-enyl] acetate?
The InChIKey is NYJISFRHMZRGHL-HWKANZROSA-N. The full InChI is InChI=1S/C10H16O4/c1-9(11)13-7-5-3-4-6-8-14-10(2)12/h3,5H,4,6-8H2,1-2H3/b5-3+.
What are the key properties of [(E)-6-acetyloxyhex-4-enyl] acetate?
[(E)-6-acetyloxyhex-4-enyl] acetate has a molecular weight of 200.23 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-acetyloxyhex-4-enyl] acetate is sourced from PubChem (CID 6148047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).