(2E,4E,6E)-octa-2,4,6-trienal

C8H10O — CID 5283331

IUPAC(2E,4E,6E)-octa-2,4,6-trienal
SMILESC/C=C/C=C/C=C/C=O
InChIInChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h2-8H,1H3/b3-2+,5-4+,7-6+
InChIKeyZUZGMJKUENNLQL-ICDJNDDTSA-N
MW122.17 g/mol
LogP1.87
Rot. Bonds3

About (2E,4E,6E)-octa-2,4,6-trienal

(2E,4E,6E)-octa-2,4,6-trienal (PubChem CID 5283331) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is (2E,4E,6E)-octa-2,4,6-trienal.

Molecular Properties

Compound Name(2E,4E,6E)-octa-2,4,6-trienal
PubChem CID5283331
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name(2E,4E,6E)-octa-2,4,6-trienal
SMILESC/C=C/C=C/C=C/C=O
InChIInChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h2-8H,1H3/b3-2+,5-4+,7-6+
InChIKeyZUZGMJKUENNLQL-ICDJNDDTSA-N
XLogP1.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-octa-2,4,6-trienal?
The IUPAC name of (2E,4E,6E)-octa-2,4,6-trienal (CID 5283331) is (2E,4E,6E)-octa-2,4,6-trienal.
What is the SMILES notation for (2E,4E,6E)-octa-2,4,6-trienal?
The canonical SMILES for (2E,4E,6E)-octa-2,4,6-trienal is C/C=C/C=C/C=C/C=O.
What is the InChIKey of (2E,4E,6E)-octa-2,4,6-trienal?
The InChIKey is ZUZGMJKUENNLQL-ICDJNDDTSA-N. The full InChI is InChI=1S/C8H10O/c1-2-3-4-5-6-7-8-9/h2-8H,1H3/b3-2+,5-4+,7-6+.
What are the key properties of (2E,4E,6E)-octa-2,4,6-trienal?
(2E,4E,6E)-octa-2,4,6-trienal has a molecular weight of 122.17 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-octa-2,4,6-trienal is sourced from PubChem (CID 5283331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).