(2Z)-penta-2,4-dienal

C5H6O — CID 5356697

IUPAC(2Z)-penta-2,4-dienal
SMILESC=C/C=C\C=O
InChIInChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3-
InChIKeyPPXGQLMPUIVFRE-ARJAWSKDSA-N
MW82.10 g/mol
LogP0.93
Rot. Bonds2

About (2Z)-penta-2,4-dienal

(2Z)-penta-2,4-dienal (PubChem CID 5356697) has the molecular formula C5H6O and a molecular weight of 82.10 g/mol. Its IUPAC name is (2Z)-penta-2,4-dienal.

Molecular Properties

Compound Name(2Z)-penta-2,4-dienal
PubChem CID5356697
Molecular FormulaC5H6O
Molecular Weight82.10 g/mol
Exact Mass82.04
IUPAC Name(2Z)-penta-2,4-dienal
SMILESC=C/C=C\C=O
InChIInChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3-
InChIKeyPPXGQLMPUIVFRE-ARJAWSKDSA-N
XLogP0.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.10
LogP ≤ 50.93
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)-penta-2,4-dienal?
The IUPAC name of (2Z)-penta-2,4-dienal (CID 5356697) is (2Z)-penta-2,4-dienal.
What is the SMILES notation for (2Z)-penta-2,4-dienal?
The canonical SMILES for (2Z)-penta-2,4-dienal is C=C/C=C\C=O.
What is the InChIKey of (2Z)-penta-2,4-dienal?
The InChIKey is PPXGQLMPUIVFRE-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3-.
What are the key properties of (2Z)-penta-2,4-dienal?
(2Z)-penta-2,4-dienal has a molecular weight of 82.10 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-penta-2,4-dienal is sourced from PubChem (CID 5356697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).