(5Z,11Z,14Z)-icosa-5,11,14-trienoate

C20H33O2- — CID 40575468

IUPAC(5Z,11Z,14Z)-icosa-5,11,14-trienoate
SMILESCCCCC/C=C\C/C=C\CCCC/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,15-16H,2-5,8,11-14,17-19H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,16-15-
InChIKeyPRHHYVQTPBEDFE-URZBRJKDSA-M
MW305.48 g/mol
LogP5.11
Rot. Bonds15

About (5Z,11Z,14Z)-icosa-5,11,14-trienoate

(5Z,11Z,14Z)-icosa-5,11,14-trienoate (PubChem CID 40575468) has the molecular formula C20H33O2- and a molecular weight of 305.48 g/mol. Its IUPAC name is (5Z,11Z,14Z)-icosa-5,11,14-trienoate.

Molecular Properties

Compound Name(5Z,11Z,14Z)-icosa-5,11,14-trienoate
PubChem CID40575468
Molecular FormulaC20H33O2-
Molecular Weight305.48 g/mol
Exact Mass305.25
IUPAC Name(5Z,11Z,14Z)-icosa-5,11,14-trienoate
SMILESCCCCC/C=C\C/C=C\CCCC/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,15-16H,2-5,8,11-14,17-19H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,16-15-
InChIKeyPRHHYVQTPBEDFE-URZBRJKDSA-M
XLogP5.11
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.48
LogP ≤ 55.11
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'}

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Related Compounds

(10Z,13Z,16Z)-docosa-10,13,16-trienoate
CID 86289994
(8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate
CID 140590497
(11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate
CID 86289180
azanium (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
CID 162516291
sodium (11Z,14Z)-icosa-11,14-dienoate
CID 155906051
iron(3+);tris((9Z,12Z)-octadeca-9,12-dienoate)
CID 20842033
tetrakis((9Z,12Z)-octadeca-9,12-dienoate);zirconium(4+)
CID 122706867
cerium(4+);tetrakis((9Z,12Z)-octadeca-9,12-dienoate)
CID 173279431
sodium icosa-11,14-dienoate
CID 155896893
bis((9Z,12Z)-octadeca-9,12-dienoate);oxygen(2-);titanium(4+)
CID 159769505
(E)-tetradec-5-enoate
CID 22378170
sodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate
CID 177254323

Frequently Asked Questions

What is the IUPAC name of (5Z,11Z,14Z)-icosa-5,11,14-trienoate?
The IUPAC name of (5Z,11Z,14Z)-icosa-5,11,14-trienoate (CID 40575468) is (5Z,11Z,14Z)-icosa-5,11,14-trienoate.
What is the SMILES notation for (5Z,11Z,14Z)-icosa-5,11,14-trienoate?
The canonical SMILES for (5Z,11Z,14Z)-icosa-5,11,14-trienoate is CCCCC/C=C\C/C=C\CCCC/C=C\CCCC(=O)[O-].
What is the InChIKey of (5Z,11Z,14Z)-icosa-5,11,14-trienoate?
The InChIKey is PRHHYVQTPBEDFE-URZBRJKDSA-M. The full InChI is InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,15-16H,2-5,8,11-14,17-19H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,16-15-.
What are the key properties of (5Z,11Z,14Z)-icosa-5,11,14-trienoate?
(5Z,11Z,14Z)-icosa-5,11,14-trienoate has a molecular weight of 305.48 g/mol, XLogP of 5.11, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,11Z,14Z)-icosa-5,11,14-trienoate is sourced from PubChem (CID 40575468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).