methyl (5Z)-icosa-5,8,11,14-tetraenoate

C21H34O2 — CID 141409710

IUPACmethyl (5Z)-icosa-5,8,11,14-tetraenoate
SMILESCCCCCC=CCC=CCC=CC/C=C\CCCC(=O)OC
InChIInChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7?,11-10?,14-13?,17-16-
InChIKeyOFIDNKMQBYGNIW-UQZPOHAGSA-N
MW318.50 g/mol
LogP6.31
Rot. Bonds14

About methyl (5Z)-icosa-5,8,11,14-tetraenoate

methyl (5Z)-icosa-5,8,11,14-tetraenoate (PubChem CID 141409710) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is methyl (5Z)-icosa-5,8,11,14-tetraenoate.

Molecular Properties

Compound Namemethyl (5Z)-icosa-5,8,11,14-tetraenoate
PubChem CID141409710
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Namemethyl (5Z)-icosa-5,8,11,14-tetraenoate
SMILESCCCCCC=CCC=CCC=CC/C=C\CCCC(=O)OC
InChIInChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7?,11-10?,14-13?,17-16-
InChIKeyOFIDNKMQBYGNIW-UQZPOHAGSA-N
XLogP6.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.31
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 methyl (5Z)-icosa-5,8,11,14-tetraenoate 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

methyl octadeca-6,9-dienoate
CID 549027
methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate;hydrochloride
CID 162316575
methyl icosa-8,11,14-trienoate
CID 519411
methyl (8E,11E)-icosa-8,11-dienoate
CID 5365673
methyl (13Z,16E)-docosa-13,16-dienoate
CID 53249651
methyl (Z)-undec-5-enoate
CID 11469683
methyl (7Z,11Z,14Z)-icosa-7,11,14-trienoate
CID 91694374
methyl (4Z,7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z)-tetratriaconta-4,7,10,13,16,19,22,25,28-nonaenoate
CID 10255583
methyl dodec-5-enoate
CID 86010951
methyl (9E,12E)-octadeca-9,12-dienoate;methyl (9E,12E,15E)-octadeca-9,12,15-trienoate;methyl (E)-octadec-9-enoate
CID 159619579
methyl (5E,8E,11E,14E)-10,10-dimethylicosa-5,8,11,14-tetraenoate
CID 88722092
methyl (Z)-octadec-9-enoate
CID 5364509

Frequently Asked Questions

What is the IUPAC name of methyl (5Z)-icosa-5,8,11,14-tetraenoate?
The IUPAC name of methyl (5Z)-icosa-5,8,11,14-tetraenoate (CID 141409710) is methyl (5Z)-icosa-5,8,11,14-tetraenoate.
What is the SMILES notation for methyl (5Z)-icosa-5,8,11,14-tetraenoate?
The canonical SMILES for methyl (5Z)-icosa-5,8,11,14-tetraenoate is CCCCCC=CCC=CCC=CC/C=C\CCCC(=O)OC.
What is the InChIKey of methyl (5Z)-icosa-5,8,11,14-tetraenoate?
The InChIKey is OFIDNKMQBYGNIW-UQZPOHAGSA-N. The full InChI is InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7?,11-10?,14-13?,17-16-.
What are the key properties of methyl (5Z)-icosa-5,8,11,14-tetraenoate?
methyl (5Z)-icosa-5,8,11,14-tetraenoate has a molecular weight of 318.50 g/mol, XLogP of 6.31, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z)-icosa-5,8,11,14-tetraenoate is sourced from PubChem (CID 141409710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).