(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid

C29H48O6 — CID 161210613

IUPAC(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.O=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C20H32O2.C9H16O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;10-8(11)6-4-2-1-3-5-7-9(12)13/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);1-7H2,(H,10,11)(H,12,13)/b7-6-,10-9-,13-12-,16-15-;
InChIKeyUWEJLULNQMJLHV-XVSDJDOKSA-N
MW492.70 g/mol
LogP8.10
Rot. Bonds22

About (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid

(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid (PubChem CID 161210613) has the molecular formula C29H48O6 and a molecular weight of 492.70 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid
PubChem CID161210613
Molecular FormulaC29H48O6
Molecular Weight492.70 g/mol
Exact Mass492.35
IUPAC Name(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.O=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C20H32O2.C9H16O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;10-8(11)6-4-2-1-3-5-7-9(12)13/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);1-7H2,(H,10,11)(H,12,13)/b7-6-,10-9-,13-12-,16-15-;
InChIKeyUWEJLULNQMJLHV-XVSDJDOKSA-N
XLogP8.10
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.70
LogP ≤ 58.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid with MolForge

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Related Compounds

(Z)-docos-13-enoic acid;(5E,8E,11E)-icosa-5,8,11-trienoic acid
CID 87638416
(8Z,11Z,14Z,17Z,20Z)-hexacosa-8,11,14,17,20-pentaenoic acid
CID 52921820
(5Z,8Z,11Z,14Z)-henicosa-5,8,11,14-tetraenoic acid
CID 10591671
tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521
heptacosa-14,17-dienoic acid
CID 169276989
octacosa-10,13,16-trienoic acid
CID 169277248
(9Z,12Z,15Z)-henicosa-9,12,15-trienoic acid
CID 14647994
(23Z,26Z)-tetratriaconta-23,26-dienoic acid
CID 165284032
(10E,13E)-nonadeca-10,13-dienoic acid
CID 5312516
(7Z,13Z,16Z)-docosa-7,13,16-trienoic acid
CID 52922002
(9Z,12Z,15Z,18Z)-tetracosa-9,12,15,18-tetraenoic acid
CID 52921800

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid?
The IUPAC name of (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid (CID 161210613) is (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid?
The canonical SMILES for (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.O=C(O)CCCCCCCC(=O)O.
What is the InChIKey of (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid?
The InChIKey is UWEJLULNQMJLHV-XVSDJDOKSA-N. The full InChI is InChI=1S/C20H32O2.C9H16O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;10-8(11)6-4-2-1-3-5-7-9(12)13/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);1-7H2,(H,10,11)(H,12,13)/b7-6-,10-9-,13-12-,16-15-;.
What are the key properties of (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid?
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid has a molecular weight of 492.70 g/mol, XLogP of 8.10, 22 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid is sourced from PubChem (CID 161210613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).