sodium icosa-11,14-dienoate

C20H35NaO2 — CID 155896893

IUPACsodium icosa-11,14-dienoate
SMILESCCCCCC=CCC=CCCCCCCCCCC(=O)[O-].[Na+]
InChIInChI=1S/C20H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22);/q;+1/p-1
InChIKeyIVNGKEHLXADBSB-UHFFFAOYSA-M
MW330.49 g/mol
LogP2.33
Rot. Bonds16

About sodium icosa-11,14-dienoate

sodium icosa-11,14-dienoate (PubChem CID 155896893) has the molecular formula C20H35NaO2 and a molecular weight of 330.49 g/mol. Its IUPAC name is sodium icosa-11,14-dienoate.

Molecular Properties

Compound Namesodium icosa-11,14-dienoate
PubChem CID155896893
Molecular FormulaC20H35NaO2
Molecular Weight330.49 g/mol
Exact Mass330.25
IUPAC Namesodium icosa-11,14-dienoate
SMILESCCCCCC=CCC=CCCCCCCCCCC(=O)[O-].[Na+]
InChIInChI=1S/C20H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22);/q;+1/p-1
InChIKeyIVNGKEHLXADBSB-UHFFFAOYSA-M
XLogP2.33
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.33
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

sodium (11Z,14Z)-icosa-11,14-dienoate
CID 155906051
(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
iron(3+);tris((9Z,12Z)-octadeca-9,12-dienoate)
CID 20842033
cerium(4+);tetrakis((9Z,12Z)-octadeca-9,12-dienoate)
CID 173279431
tetrakis((9Z,12Z)-octadeca-9,12-dienoate);zirconium(4+)
CID 122706867
bis((9Z,12Z)-octadeca-9,12-dienoate);oxygen(2-);titanium(4+)
CID 159769505
sodium;(9Z,12Z)-octadeca-9,12-dienoate;phosphoric acid
CID 175132499
azanium (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
CID 162516291
sodium;cobalt(2+);octadecanoate;octadec-9-enoate;tetradecanoate
CID 173324168
(5Z,11Z,14Z)-icosa-5,11,14-trienoate
CID 40575468

Frequently Asked Questions

What is the IUPAC name of sodium icosa-11,14-dienoate?
The IUPAC name of sodium icosa-11,14-dienoate (CID 155896893) is sodium icosa-11,14-dienoate.
What is the SMILES notation for sodium icosa-11,14-dienoate?
The canonical SMILES for sodium icosa-11,14-dienoate is CCCCCC=CCC=CCCCCCCCCCC(=O)[O-].[Na+].
What is the InChIKey of sodium icosa-11,14-dienoate?
The InChIKey is IVNGKEHLXADBSB-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22);/q;+1/p-1.
What are the key properties of sodium icosa-11,14-dienoate?
sodium icosa-11,14-dienoate has a molecular weight of 330.49 g/mol, XLogP of 2.33, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium icosa-11,14-dienoate is sourced from PubChem (CID 155896893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).