[(E)-1,1-diacetyloxynon-2-en-4-yl] acetate

C15H24O6 — CID 24848729

IUPAC[(E)-1,1-diacetyloxynon-2-en-4-yl] acetate
SMILESCCCCCC(/C=C/C(OC(C)=O)OC(C)=O)OC(C)=O
InChIInChI=1S/C15H24O6/c1-5-6-7-8-14(19-11(2)16)9-10-15(20-12(3)17)21-13(4)18/h9-10,14-15H,5-8H2,1-4H3/b10-9+
InChIKeySWDNMAAZZHEOMW-MDZDMXLPSA-N
MW300.35 g/mol
LogP2.51
Rot. Bonds9

About [(E)-1,1-diacetyloxynon-2-en-4-yl] acetate

[(E)-1,1-diacetyloxynon-2-en-4-yl] acetate (PubChem CID 24848729) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is [(E)-1,1-diacetyloxynon-2-en-4-yl] acetate.

Molecular Properties

Compound Name[(E)-1,1-diacetyloxynon-2-en-4-yl] acetate
PubChem CID24848729
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name[(E)-1,1-diacetyloxynon-2-en-4-yl] acetate
SMILESCCCCCC(/C=C/C(OC(C)=O)OC(C)=O)OC(C)=O
InChIInChI=1S/C15H24O6/c1-5-6-7-8-14(19-11(2)16)9-10-15(20-12(3)17)21-13(4)18/h9-10,14-15H,5-8H2,1-4H3/b10-9+
InChIKeySWDNMAAZZHEOMW-MDZDMXLPSA-N
XLogP2.51
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1,1-diacetyloxynon-2-en-4-yl] acetate?
The IUPAC name of [(E)-1,1-diacetyloxynon-2-en-4-yl] acetate (CID 24848729) is [(E)-1,1-diacetyloxynon-2-en-4-yl] acetate.
What is the SMILES notation for [(E)-1,1-diacetyloxynon-2-en-4-yl] acetate?
The canonical SMILES for [(E)-1,1-diacetyloxynon-2-en-4-yl] acetate is CCCCCC(/C=C/C(OC(C)=O)OC(C)=O)OC(C)=O.
What is the InChIKey of [(E)-1,1-diacetyloxynon-2-en-4-yl] acetate?
The InChIKey is SWDNMAAZZHEOMW-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H24O6/c1-5-6-7-8-14(19-11(2)16)9-10-15(20-12(3)17)21-13(4)18/h9-10,14-15H,5-8H2,1-4H3/b10-9+.
What are the key properties of [(E)-1,1-diacetyloxynon-2-en-4-yl] acetate?
[(E)-1,1-diacetyloxynon-2-en-4-yl] acetate has a molecular weight of 300.35 g/mol, XLogP of 2.51, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,1-diacetyloxynon-2-en-4-yl] acetate is sourced from PubChem (CID 24848729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).