(2E,13Z,24E)-hexacosa-2,13,24-trienedial

C26H44O2 — CID 24786697

IUPAC(2E,13Z,24E)-hexacosa-2,13,24-trienedial
SMILESO=C/C=C/CCCCCCCCC/C=C\CCCCCCCCC/C=C/C=O
InChIInChI=1S/C26H44O2/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28/h1-2,21-26H,3-20H2/b2-1-,23-21+,24-22+
InChIKeyHKEBKSDOTWCFGU-HGJHSXECSA-N
MW388.64 g/mol
LogP8.07
Rot. Bonds22

About (2E,13Z,24E)-hexacosa-2,13,24-trienedial

(2E,13Z,24E)-hexacosa-2,13,24-trienedial (PubChem CID 24786697) has the molecular formula C26H44O2 and a molecular weight of 388.64 g/mol. Its IUPAC name is (2E,13Z,24E)-hexacosa-2,13,24-trienedial.

Molecular Properties

Compound Name(2E,13Z,24E)-hexacosa-2,13,24-trienedial
PubChem CID24786697
Molecular FormulaC26H44O2
Molecular Weight388.64 g/mol
Exact Mass388.33
IUPAC Name(2E,13Z,24E)-hexacosa-2,13,24-trienedial
SMILESO=C/C=C/CCCCCCCCC/C=C\CCCCCCCCC/C=C/C=O
InChIInChI=1S/C26H44O2/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28/h1-2,21-26H,3-20H2/b2-1-,23-21+,24-22+
InChIKeyHKEBKSDOTWCFGU-HGJHSXECSA-N
XLogP8.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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(E)-non-2-enal
CID 160680674
(E)-non-2-enal
CID 5283335
(E)-dec-2-enal
CID 5283345
(2E)-tetradeca-2,13-dienal
CID 87269754
(E)-7-hydroxyhept-2-enal
CID 88503133
dodec-2-enal;(E)-hex-2-enal
CID 159709120
triaconta-9,17,19-trienedial
CID 54176799
(E)-hept-2-enedial
CID 5283323
(Z)-11-oxoundec-9-enoic acid
CID 58659712

Frequently Asked Questions

What is the IUPAC name of (2E,13Z,24E)-hexacosa-2,13,24-trienedial?
The IUPAC name of (2E,13Z,24E)-hexacosa-2,13,24-trienedial (CID 24786697) is (2E,13Z,24E)-hexacosa-2,13,24-trienedial.
What is the SMILES notation for (2E,13Z,24E)-hexacosa-2,13,24-trienedial?
The canonical SMILES for (2E,13Z,24E)-hexacosa-2,13,24-trienedial is O=C/C=C/CCCCCCCCC/C=C\CCCCCCCCC/C=C/C=O.
What is the InChIKey of (2E,13Z,24E)-hexacosa-2,13,24-trienedial?
The InChIKey is HKEBKSDOTWCFGU-HGJHSXECSA-N. The full InChI is InChI=1S/C26H44O2/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28/h1-2,21-26H,3-20H2/b2-1-,23-21+,24-22+.
What are the key properties of (2E,13Z,24E)-hexacosa-2,13,24-trienedial?
(2E,13Z,24E)-hexacosa-2,13,24-trienedial has a molecular weight of 388.64 g/mol, XLogP of 8.07, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,13Z,24E)-hexacosa-2,13,24-trienedial is sourced from PubChem (CID 24786697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).