(8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate

C23H37O2- — CID 140590497

IUPAC(8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)[O-]
InChIInChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,24,25)/p-1/b7-6-,10-9-,13-12-,16-15-
InChIKeyRIIQLVDUSDXYRO-DOFZRALJSA-M
MW345.55 g/mol
LogP6.05
Rot. Bonds17

About (8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate

(8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate (PubChem CID 140590497) has the molecular formula C23H37O2- and a molecular weight of 345.55 g/mol. Its IUPAC name is (8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate.

Molecular Properties

Compound Name(8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate
PubChem CID140590497
Molecular FormulaC23H37O2-
Molecular Weight345.55 g/mol
Exact Mass345.28
IUPAC Name(8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)[O-]
InChIInChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,24,25)/p-1/b7-6-,10-9-,13-12-,16-15-
InChIKeyRIIQLVDUSDXYRO-DOFZRALJSA-M
XLogP6.05
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.55
LogP ≤ 56.05
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 (8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate with MolForge

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Related Compounds

(10Z,13Z,16Z)-docosa-10,13,16-trienoate
CID 86289994
(11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate
CID 86289180
sodium icosa-11,14-dienoate
CID 155896893
cerium(4+);tetrakis((9Z,12Z)-octadeca-9,12-dienoate)
CID 173279431
iron(3+);tris((9Z,12Z)-octadeca-9,12-dienoate)
CID 20842033
tetrakis((9Z,12Z)-octadeca-9,12-dienoate);zirconium(4+)
CID 122706867
sodium (11Z,14Z)-icosa-11,14-dienoate
CID 155906051
bis((9Z,12Z)-octadeca-9,12-dienoate);oxygen(2-);titanium(4+)
CID 159769505
azanium (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
CID 162516291
(5Z,11Z,14Z)-icosa-5,11,14-trienoate
CID 40575468
(E)-triacont-15-enoate
CID 59800253
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763

Frequently Asked Questions

What is the IUPAC name of (8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate?
The IUPAC name of (8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate (CID 140590497) is (8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate.
What is the SMILES notation for (8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate?
The canonical SMILES for (8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)[O-].
What is the InChIKey of (8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate?
The InChIKey is RIIQLVDUSDXYRO-DOFZRALJSA-M. The full InChI is InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,24,25)/p-1/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate?
(8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate has a molecular weight of 345.55 g/mol, XLogP of 6.05, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate is sourced from PubChem (CID 140590497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).