(5E)-octa-5,7-dienal

C8H12O — CID 5283330

IUPAC(5E)-octa-5,7-dienal
SMILESC=C/C=C/CCCC=O
InChIInChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2-4,8H,1,5-7H2/b4-3+
InChIKeyDAGXMELQLQNAGN-ONEGZZNKSA-N
MW124.18 g/mol
LogP2.10
Rot. Bonds5

About (5E)-octa-5,7-dienal

(5E)-octa-5,7-dienal (PubChem CID 5283330) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (5E)-octa-5,7-dienal.

Molecular Properties

Compound Name(5E)-octa-5,7-dienal
PubChem CID5283330
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(5E)-octa-5,7-dienal
SMILESC=C/C=C/CCCC=O
InChIInChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2-4,8H,1,5-7H2/b4-3+
InChIKeyDAGXMELQLQNAGN-ONEGZZNKSA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

cis-6-Nonenal
CID 5362720
5-Decenal, (5Z)-
CID 13940628
4-Nonenal, (4E)-
CID 5283337
Oct-6-enal
CID 62220
5-Octenal, (5E)-
CID 5283327
cis-5-Octenal
CID 6435869
6-Octenal, (6E)-
CID 5283328
5-Dodecenal, (5E)-
CID 5362688
6-Octenal, (6Z)-
CID 21158617
(4E)-hepta-4,6-dienal
CID 5283322
6-Decenal, (6E)-
CID 5283348
6-Decenal, (6Z)-
CID 6432852

Frequently Asked Questions

What is the IUPAC name of (5E)-octa-5,7-dienal?
The IUPAC name of (5E)-octa-5,7-dienal (CID 5283330) is (5E)-octa-5,7-dienal.
What is the SMILES notation for (5E)-octa-5,7-dienal?
The canonical SMILES for (5E)-octa-5,7-dienal is C=C/C=C/CCCC=O.
What is the InChIKey of (5E)-octa-5,7-dienal?
The InChIKey is DAGXMELQLQNAGN-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H12O/c1-2-3-4-5-6-7-8-9/h2-4,8H,1,5-7H2/b4-3+.
What are the key properties of (5E)-octa-5,7-dienal?
(5E)-octa-5,7-dienal has a molecular weight of 124.18 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-octa-5,7-dienal is sourced from PubChem (CID 5283330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).