(E)-oct-4-enedial

C8H12O2 — CID 5283333

IUPAC(E)-oct-4-enedial
SMILESO=CCC/C=C/CCC=O
InChIInChI=1S/C8H12O2/c9-7-5-3-1-2-4-6-8-10/h1-2,7-8H,3-6H2/b2-1+
InChIKeyIPKANKUZIOETCW-OWOJBTEDSA-N
MW140.18 g/mol
LogP1.50
Rot. Bonds6

About (E)-oct-4-enedial

(E)-oct-4-enedial (PubChem CID 5283333) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (E)-oct-4-enedial.

Molecular Properties

Compound Name(E)-oct-4-enedial
PubChem CID5283333
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(E)-oct-4-enedial
SMILESO=CCC/C=C/CCC=O
InChIInChI=1S/C8H12O2/c9-7-5-3-1-2-4-6-8-10/h1-2,7-8H,3-6H2/b2-1+
InChIKeyIPKANKUZIOETCW-OWOJBTEDSA-N
XLogP1.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.50
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-oct-4-enedial?
The IUPAC name of (E)-oct-4-enedial (CID 5283333) is (E)-oct-4-enedial.
What is the SMILES notation for (E)-oct-4-enedial?
The canonical SMILES for (E)-oct-4-enedial is O=CCC/C=C/CCC=O.
What is the InChIKey of (E)-oct-4-enedial?
The InChIKey is IPKANKUZIOETCW-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H12O2/c9-7-5-3-1-2-4-6-8-10/h1-2,7-8H,3-6H2/b2-1+.
What are the key properties of (E)-oct-4-enedial?
(E)-oct-4-enedial has a molecular weight of 140.18 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-oct-4-enedial is sourced from PubChem (CID 5283333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).