sodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate

C19H29NaO2 — CID 177254323

IUPACsodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-].[Na+]
InChIInChI=1S/C19H30O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21;/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-18H2,1H3,(H,20,21);/q;+1/p-1/b7-6-,10-9-,13-12-,16-15-;
InChIKeyFSFOGQZMTLDNPA-XVSDJDOKSA-M
MW312.43 g/mol
LogP1.50
Rot. Bonds13

About sodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate

sodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate (PubChem CID 177254323) has the molecular formula C19H29NaO2 and a molecular weight of 312.43 g/mol. Its IUPAC name is sodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate.

Molecular Properties

Compound Namesodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate
PubChem CID177254323
Molecular FormulaC19H29NaO2
Molecular Weight312.43 g/mol
Exact Mass312.21
IUPAC Namesodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-].[Na+]
InChIInChI=1S/C19H30O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21;/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-18H2,1H3,(H,20,21);/q;+1/p-1/b7-6-,10-9-,13-12-,16-15-;
InChIKeyFSFOGQZMTLDNPA-XVSDJDOKSA-M
XLogP1.50
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.50
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 icosa-11,14-dienoate
CID 155896893
sodium (11Z,14Z)-icosa-11,14-dienoate
CID 155906051
(5Z,11Z,14Z)-icosa-5,11,14-trienoate
CID 40575468
(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
(10Z,13Z,16Z)-docosa-10,13,16-trienoate
CID 86289994
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
bis((9Z,12Z)-octadeca-9,12-dienoate);oxygen(2-);titanium(4+)
CID 159769505
sodium;(9Z,12Z)-octadeca-9,12-dienoate;phosphoric acid
CID 175132499

Frequently Asked Questions

What is the IUPAC name of sodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate?
The IUPAC name of sodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate (CID 177254323) is sodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate.
What is the SMILES notation for sodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate?
The canonical SMILES for sodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-].[Na+].
What is the InChIKey of sodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate?
The InChIKey is FSFOGQZMTLDNPA-XVSDJDOKSA-M. The full InChI is InChI=1S/C19H30O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21;/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-18H2,1H3,(H,20,21);/q;+1/p-1/b7-6-,10-9-,13-12-,16-15-;.
What are the key properties of sodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate?
sodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate has a molecular weight of 312.43 g/mol, XLogP of 1.50, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraenoate is sourced from PubChem (CID 177254323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).