(2Z,4E)-hexa-2,4-dienal

C6H8O — CID 11829369

IUPAC(2Z,4E)-hexa-2,4-dienal
SMILESC/C=C/C=C\C=O
InChIInChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4-
InChIKeyBATOPAZDIZEVQF-IAROGAJJSA-N
MW96.13 g/mol
LogP1.32
Rot. Bonds2

About (2Z,4E)-hexa-2,4-dienal

(2Z,4E)-hexa-2,4-dienal (PubChem CID 11829369) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is (2Z,4E)-hexa-2,4-dienal.

Molecular Properties

Compound Name(2Z,4E)-hexa-2,4-dienal
PubChem CID11829369
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name(2Z,4E)-hexa-2,4-dienal
SMILESC/C=C/C=C\C=O
InChIInChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4-
InChIKeyBATOPAZDIZEVQF-IAROGAJJSA-N
XLogP1.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.32
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 (2Z,4E)-hexa-2,4-dienal?
The IUPAC name of (2Z,4E)-hexa-2,4-dienal (CID 11829369) is (2Z,4E)-hexa-2,4-dienal.
What is the SMILES notation for (2Z,4E)-hexa-2,4-dienal?
The canonical SMILES for (2Z,4E)-hexa-2,4-dienal is C/C=C/C=C\C=O.
What is the InChIKey of (2Z,4E)-hexa-2,4-dienal?
The InChIKey is BATOPAZDIZEVQF-IAROGAJJSA-N. The full InChI is InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4-.
What are the key properties of (2Z,4E)-hexa-2,4-dienal?
(2Z,4E)-hexa-2,4-dienal has a molecular weight of 96.13 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-hexa-2,4-dienal is sourced from PubChem (CID 11829369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).