[(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate

C26H44O2 — CID 15096494

IUPAC[(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate
SMILESCC/C=C\C/C=C\C/C=C\CCCC/C=C\CCCCCCOC(=O)C(C)C
InChIInChI=1S/C26H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-26(27)25(2)3/h5-6,8-9,11-12,17-18,25H,4,7,10,13-16,19-24H2,1-3H3/b6-5-,9-8-,12-11-,18-17-
InChIKeyIHFUWVNHVLVCKZ-LYBCEPMBSA-N
MW388.64 g/mol
LogP8.11
Rot. Bonds18

About [(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate

[(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate (PubChem CID 15096494) has the molecular formula C26H44O2 and a molecular weight of 388.64 g/mol. Its IUPAC name is [(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate.

Molecular Properties

Compound Name[(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate
PubChem CID15096494
Molecular FormulaC26H44O2
Molecular Weight388.64 g/mol
Exact Mass388.33
IUPAC Name[(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate
SMILESCC/C=C\C/C=C\C/C=C\CCCC/C=C\CCCCCCOC(=O)C(C)C
InChIInChI=1S/C26H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-26(27)25(2)3/h5-6,8-9,11-12,17-18,25H,4,7,10,13-16,19-24H2,1-3H3/b6-5-,9-8-,12-11-,18-17-
InChIKeyIHFUWVNHVLVCKZ-LYBCEPMBSA-N
XLogP8.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 58.11
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 [(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate?
The IUPAC name of [(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate (CID 15096494) is [(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate.
What is the SMILES notation for [(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate?
The canonical SMILES for [(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate is CC/C=C\C/C=C\C/C=C\CCCC/C=C\CCCCCCOC(=O)C(C)C.
What is the InChIKey of [(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate?
The InChIKey is IHFUWVNHVLVCKZ-LYBCEPMBSA-N. The full InChI is InChI=1S/C26H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-26(27)25(2)3/h5-6,8-9,11-12,17-18,25H,4,7,10,13-16,19-24H2,1-3H3/b6-5-,9-8-,12-11-,18-17-.
What are the key properties of [(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate?
[(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate has a molecular weight of 388.64 g/mol, XLogP of 8.11, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7Z,13Z,16Z,19Z)-docosa-7,13,16,19-tetraenyl] 2-methylpropanoate is sourced from PubChem (CID 15096494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).