(23Z,26Z)-tetratriaconta-23,26-dienoic acid

C34H64O2 — CID 165284032

IUPAC(23Z,26Z)-tetratriaconta-23,26-dienoic acid
SMILESCCCCCCC/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C34H64O2/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/h8-9,11-12H,2-7,10,13-33H2,1H3,(H,35,36)/b9-8-,12-11-
InChIKeyQUYIDNSZFZLOBV-MURFETPASA-N
MW504.88 g/mol
LogP12.13
Rot. Bonds30

About (23Z,26Z)-tetratriaconta-23,26-dienoic acid

(23Z,26Z)-tetratriaconta-23,26-dienoic acid (PubChem CID 165284032) has the molecular formula C34H64O2 and a molecular weight of 504.88 g/mol. Its IUPAC name is (23Z,26Z)-tetratriaconta-23,26-dienoic acid.

Molecular Properties

Compound Name(23Z,26Z)-tetratriaconta-23,26-dienoic acid
PubChem CID165284032
Molecular FormulaC34H64O2
Molecular Weight504.88 g/mol
Exact Mass504.49
IUPAC Name(23Z,26Z)-tetratriaconta-23,26-dienoic acid
SMILESCCCCCCC/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C34H64O2/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/h8-9,11-12H,2-7,10,13-33H2,1H3,(H,35,36)/b9-8-,12-11-
InChIKeyQUYIDNSZFZLOBV-MURFETPASA-N
XLogP12.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.88
LogP ≤ 512.13
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
(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
triaconta-13,16,19-trienoic acid
CID 169277220

Frequently Asked Questions

What is the IUPAC name of (23Z,26Z)-tetratriaconta-23,26-dienoic acid?
The IUPAC name of (23Z,26Z)-tetratriaconta-23,26-dienoic acid (CID 165284032) is (23Z,26Z)-tetratriaconta-23,26-dienoic acid.
What is the SMILES notation for (23Z,26Z)-tetratriaconta-23,26-dienoic acid?
The canonical SMILES for (23Z,26Z)-tetratriaconta-23,26-dienoic acid is CCCCCCC/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of (23Z,26Z)-tetratriaconta-23,26-dienoic acid?
The InChIKey is QUYIDNSZFZLOBV-MURFETPASA-N. The full InChI is InChI=1S/C34H64O2/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/h8-9,11-12H,2-7,10,13-33H2,1H3,(H,35,36)/b9-8-,12-11-.
What are the key properties of (23Z,26Z)-tetratriaconta-23,26-dienoic acid?
(23Z,26Z)-tetratriaconta-23,26-dienoic acid has a molecular weight of 504.88 g/mol, XLogP of 12.13, 30 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (23Z,26Z)-tetratriaconta-23,26-dienoic acid is sourced from PubChem (CID 165284032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).