(2E,4E)-octa-2,4-dienal

C8H12O — CID 5283329

IUPAC(2E,4E)-octa-2,4-dienal
SMILESCCC/C=C/C=C/C=O
InChIInChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h4-8H,2-3H2,1H3/b5-4+,7-6+
InChIKeyDVVATNQISMINCX-YTXTXJHMSA-N
MW124.18 g/mol
LogP2.10
Rot. Bonds4

About (2E,4E)-octa-2,4-dienal

(2E,4E)-octa-2,4-dienal (PubChem CID 5283329) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (2E,4E)-octa-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-octa-2,4-dienal
PubChem CID5283329
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(2E,4E)-octa-2,4-dienal
SMILESCCC/C=C/C=C/C=O
InChIInChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h4-8H,2-3H2,1H3/b5-4+,7-6+
InChIKeyDVVATNQISMINCX-YTXTXJHMSA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.10
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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Related Compounds

trans-2-Hexenal
CID 5281168
2-Heptenal
CID 5283316
2-Nonenal
CID 5283335
(E)-2-Octenal
CID 5283324
2,4-Decadienal
CID 5283349
(Z)-non-2-enal
CID 5354833
(E)-2-Pentenal
CID 5364752
Orange Oil
CID 62161
Oct-2-enal
CID 16900
trans-2,cis-6-Nonadienal
CID 643731
(2Z,4E)-Nona-2,4-Dienal
CID 6428555
(Z)-2-Octenal
CID 6427080

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-octa-2,4-dienal?
The IUPAC name of (2E,4E)-octa-2,4-dienal (CID 5283329) is (2E,4E)-octa-2,4-dienal.
What is the SMILES notation for (2E,4E)-octa-2,4-dienal?
The canonical SMILES for (2E,4E)-octa-2,4-dienal is CCC/C=C/C=C/C=O.
What is the InChIKey of (2E,4E)-octa-2,4-dienal?
The InChIKey is DVVATNQISMINCX-YTXTXJHMSA-N. The full InChI is InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h4-8H,2-3H2,1H3/b5-4+,7-6+.
What are the key properties of (2E,4E)-octa-2,4-dienal?
(2E,4E)-octa-2,4-dienal has a molecular weight of 124.18 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-octa-2,4-dienal is sourced from PubChem (CID 5283329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).