(E)-oct-5-enal

C8H14O — CID 5283327

IUPAC(E)-oct-5-enal
SMILESCC/C=C/CCCC=O
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-4,8H,2,5-7H2,1H3/b4-3+
InChIKeyZUSUVEKHEZURSD-ONEGZZNKSA-N
MW126.20 g/mol
LogP2.32
Rot. Bonds5

About (E)-oct-5-enal

(E)-oct-5-enal (PubChem CID 5283327) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (E)-oct-5-enal.

Molecular Properties

Compound Name(E)-oct-5-enal
PubChem CID5283327
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(E)-oct-5-enal
SMILESCC/C=C/CCCC=O
InChIInChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-4,8H,2,5-7H2,1H3/b4-3+
InChIKeyZUSUVEKHEZURSD-ONEGZZNKSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.32
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-oct-5-enal?
The IUPAC name of (E)-oct-5-enal (CID 5283327) is (E)-oct-5-enal.
What is the SMILES notation for (E)-oct-5-enal?
The canonical SMILES for (E)-oct-5-enal is CC/C=C/CCCC=O.
What is the InChIKey of (E)-oct-5-enal?
The InChIKey is ZUSUVEKHEZURSD-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h3-4,8H,2,5-7H2,1H3/b4-3+.
What are the key properties of (E)-oct-5-enal?
(E)-oct-5-enal has a molecular weight of 126.20 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-oct-5-enal is sourced from PubChem (CID 5283327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).