(20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid

C34H62O2 — CID 165313676

IUPAC(20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid
SMILESCCCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C34H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(35)36/h8-9,11-12,14-15H,2-7,10,13,16-33H2,1H3,(H,35,36)/b9-8-,12-11-,15-14-
InChIKeyWCDVDYKFOFXHOB-ORZIMQNZSA-N
MW502.87 g/mol
LogP11.90
Rot. Bonds29

About (20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid

(20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid (PubChem CID 165313676) has the molecular formula C34H62O2 and a molecular weight of 502.87 g/mol. Its IUPAC name is (20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid.

Molecular Properties

Compound Name(20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid
PubChem CID165313676
Molecular FormulaC34H62O2
Molecular Weight502.87 g/mol
Exact Mass502.47
IUPAC Name(20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid
SMILESCCCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C34H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(35)36/h8-9,11-12,14-15H,2-7,10,13,16-33H2,1H3,(H,35,36)/b9-8-,12-11-,15-14-
InChIKeyWCDVDYKFOFXHOB-ORZIMQNZSA-N
XLogP11.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.87
LogP ≤ 511.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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
triaconta-18,21-dienoic acid
CID 169276961
octacosa-15,18-dienoic acid
CID 169277492
(7Z)-docosa-7,10,13,16-tetraenoic acid
CID 87131782
(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 (20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid?
The IUPAC name of (20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid (CID 165313676) is (20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid.
What is the SMILES notation for (20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid?
The canonical SMILES for (20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid is CCCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of (20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid?
The InChIKey is WCDVDYKFOFXHOB-ORZIMQNZSA-N. The full InChI is InChI=1S/C34H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(35)36/h8-9,11-12,14-15H,2-7,10,13,16-33H2,1H3,(H,35,36)/b9-8-,12-11-,15-14-.
What are the key properties of (20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid?
(20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid has a molecular weight of 502.87 g/mol, XLogP of 11.90, 29 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (20Z,23Z,26Z)-tetratriaconta-20,23,26-trienoic acid is sourced from PubChem (CID 165313676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).