20-acetyloxyicos-11-enyl acetate

C24H44O4 — CID 537116

IUPAC20-acetyloxyicos-11-enyl acetate
SMILESCC(=O)OCCCCCCCCC=CCCCCCCCCCCOC(C)=O
InChIInChI=1S/C24H44O4/c1-23(25)27-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-28-24(2)26/h3,5H,4,6-22H2,1-2H3
InChIKeyUMONYNIPXBEMSD-UHFFFAOYSA-N
MW396.61 g/mol
LogP6.91
Rot. Bonds20

About 20-acetyloxyicos-11-enyl acetate

20-acetyloxyicos-11-enyl acetate (PubChem CID 537116) has the molecular formula C24H44O4 and a molecular weight of 396.61 g/mol. Its IUPAC name is 20-acetyloxyicos-11-enyl acetate.

Molecular Properties

Compound Name20-acetyloxyicos-11-enyl acetate
PubChem CID537116
Molecular FormulaC24H44O4
Molecular Weight396.61 g/mol
Exact Mass396.32
IUPAC Name20-acetyloxyicos-11-enyl acetate
SMILESCC(=O)OCCCCCCCCC=CCCCCCCCCCCOC(C)=O
InChIInChI=1S/C24H44O4/c1-23(25)27-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-28-24(2)26/h3,5H,4,6-22H2,1-2H3
InChIKeyUMONYNIPXBEMSD-UHFFFAOYSA-N
XLogP6.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.61
LogP ≤ 56.91
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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Related Compounds

[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
[(4E,12E)-16-acetyloxyhexadeca-4,12-dienyl] acetate
CID 23331437
[(Z)-tridec-10-enyl] acetate
CID 13086957
octadec-8-enyl acetate
CID 538134
[(Z)-octadec-13-enyl] acetate
CID 5363293
[(Z)-tridec-8-enyl] acetate
CID 10014538
hexadec-8-enyl acetate
CID 538136
[(Z)-icos-11-enyl] acetate
CID 11493805
[(Z)-pentadec-7-enyl] acetate
CID 102286743
[(E)-14-iodotetradec-11-enyl] acetate
CID 163205043
[(Z)-11-chloroundec-8-enyl] acetate
CID 163204757

Frequently Asked Questions

What is the IUPAC name of 20-acetyloxyicos-11-enyl acetate?
The IUPAC name of 20-acetyloxyicos-11-enyl acetate (CID 537116) is 20-acetyloxyicos-11-enyl acetate.
What is the SMILES notation for 20-acetyloxyicos-11-enyl acetate?
The canonical SMILES for 20-acetyloxyicos-11-enyl acetate is CC(=O)OCCCCCCCCC=CCCCCCCCCCCOC(C)=O.
What is the InChIKey of 20-acetyloxyicos-11-enyl acetate?
The InChIKey is UMONYNIPXBEMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44O4/c1-23(25)27-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-28-24(2)26/h3,5H,4,6-22H2,1-2H3.
What are the key properties of 20-acetyloxyicos-11-enyl acetate?
20-acetyloxyicos-11-enyl acetate has a molecular weight of 396.61 g/mol, XLogP of 6.91, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 20-acetyloxyicos-11-enyl acetate is sourced from PubChem (CID 537116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).