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

C6H6O2 — CID 11412357

IUPAC(2Z,4E)-hexa-2,4-dienedial
SMILESO=C/C=C\C=C\C=O
InChIInChI=1S/C6H6O2/c7-5-3-1-2-4-6-8/h1-6H/b3-1-,4-2+
InChIKeyNDCAAPXLWRAESY-HSFFGMMNSA-N
MW110.11 g/mol
LogP0.50
Rot. Bonds3

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

(2Z,4E)-hexa-2,4-dienedial (PubChem CID 11412357) has the molecular formula C6H6O2 and a molecular weight of 110.11 g/mol. Its IUPAC name is (2Z,4E)-hexa-2,4-dienedial.

Molecular Properties

Compound Name(2Z,4E)-hexa-2,4-dienedial
PubChem CID11412357
Molecular FormulaC6H6O2
Molecular Weight110.11 g/mol
Exact Mass110.04
IUPAC Name(2Z,4E)-hexa-2,4-dienedial
SMILESO=C/C=C\C=C\C=O
InChIInChI=1S/C6H6O2/c7-5-3-1-2-4-6-8/h1-6H/b3-1-,4-2+
InChIKeyNDCAAPXLWRAESY-HSFFGMMNSA-N
XLogP0.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.11
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dienedial?
The IUPAC name of (2Z,4E)-hexa-2,4-dienedial (CID 11412357) is (2Z,4E)-hexa-2,4-dienedial.
What is the SMILES notation for (2Z,4E)-hexa-2,4-dienedial?
The canonical SMILES for (2Z,4E)-hexa-2,4-dienedial is O=C/C=C\C=C\C=O.
What is the InChIKey of (2Z,4E)-hexa-2,4-dienedial?
The InChIKey is NDCAAPXLWRAESY-HSFFGMMNSA-N. The full InChI is InChI=1S/C6H6O2/c7-5-3-1-2-4-6-8/h1-6H/b3-1-,4-2+.
What are the key properties of (2Z,4E)-hexa-2,4-dienedial?
(2Z,4E)-hexa-2,4-dienedial has a molecular weight of 110.11 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-hexa-2,4-dienedial is sourced from PubChem (CID 11412357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).