[(Z)-icos-11-enyl] acetate

C22H42O2 — CID 11493805

IUPAC[(Z)-icos-11-enyl] acetate
SMILESCCCCCCCC/C=C\CCCCCCCCCCOC(C)=O
InChIInChI=1S/C22H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22(2)23/h10-11H,3-9,12-21H2,1-2H3/b11-10-
InChIKeyPYVDPRZZYPCYBD-KHPPLWFESA-N
MW338.58 g/mol
LogP7.37
Rot. Bonds18

About [(Z)-icos-11-enyl] acetate

[(Z)-icos-11-enyl] acetate (PubChem CID 11493805) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is [(Z)-icos-11-enyl] acetate.

Molecular Properties

Compound Name[(Z)-icos-11-enyl] acetate
PubChem CID11493805
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name[(Z)-icos-11-enyl] acetate
SMILESCCCCCCCC/C=C\CCCCCCCCCCOC(C)=O
InChIInChI=1S/C22H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22(2)23/h10-11H,3-9,12-21H2,1-2H3/b11-10-
InChIKeyPYVDPRZZYPCYBD-KHPPLWFESA-N
XLogP7.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-icos-11-enyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexadec-8-enyl acetate
CID 538136
octadec-8-enyl acetate
CID 538134
[(Z)-pentadec-7-enyl] acetate
CID 102286743
[(Z)-tridec-8-enyl] acetate
CID 10014538
[(Z)-octadec-13-enyl] acetate
CID 5363293
[(9Z,12E)-octadeca-9,12-dienyl] acetate
CID 124514536
[(Z)-dec-5-enyl] acetate
CID 5363513
[(5E,8Z,11E,14E)-icosa-5,8,11,14-tetraenyl] acetate
CID 124937607
heptadeca-9,11-dienyl acetate
CID 168861599
20-acetyloxyicos-11-enyl acetate
CID 537116
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
[(4Z,6Z)-hexadeca-4,6-dienyl] acetate
CID 91751116

Frequently Asked Questions

What is the IUPAC name of [(Z)-icos-11-enyl] acetate?
The IUPAC name of [(Z)-icos-11-enyl] acetate (CID 11493805) is [(Z)-icos-11-enyl] acetate.
What is the SMILES notation for [(Z)-icos-11-enyl] acetate?
The canonical SMILES for [(Z)-icos-11-enyl] acetate is CCCCCCCC/C=C\CCCCCCCCCCOC(C)=O.
What is the InChIKey of [(Z)-icos-11-enyl] acetate?
The InChIKey is PYVDPRZZYPCYBD-KHPPLWFESA-N. The full InChI is InChI=1S/C22H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22(2)23/h10-11H,3-9,12-21H2,1-2H3/b11-10-.
What are the key properties of [(Z)-icos-11-enyl] acetate?
[(Z)-icos-11-enyl] acetate has a molecular weight of 338.58 g/mol, XLogP of 7.37, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-icos-11-enyl] acetate is sourced from PubChem (CID 11493805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).