(2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal

C9H12O4 — CID 59671804

IUPAC(2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal
SMILESCO/C=C/C=C(C=O)\C(=C\O)OC
InChIInChI=1S/C9H12O4/c1-12-5-3-4-8(6-10)9(7-11)13-2/h3-7,11H,1-2H3/b5-3+,8-4-,9-7-
InChIKeyPZYABAIXGRRFHD-ALSQOMOTSA-N
MW184.19 g/mol
LogP1.32
Rot. Bonds5

About (2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal

(2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal (PubChem CID 59671804) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is (2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal
PubChem CID59671804
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal
SMILESCO/C=C/C=C(C=O)\C(=C\O)OC
InChIInChI=1S/C9H12O4/c1-12-5-3-4-8(6-10)9(7-11)13-2/h3-7,11H,1-2H3/b5-3+,8-4-,9-7-
InChIKeyPZYABAIXGRRFHD-ALSQOMOTSA-N
XLogP1.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal?
The IUPAC name of (2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal (CID 59671804) is (2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal.
What is the SMILES notation for (2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal?
The canonical SMILES for (2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal is CO/C=C/C=C(C=O)\C(=C\O)OC.
What is the InChIKey of (2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal?
The InChIKey is PZYABAIXGRRFHD-ALSQOMOTSA-N. The full InChI is InChI=1S/C9H12O4/c1-12-5-3-4-8(6-10)9(7-11)13-2/h3-7,11H,1-2H3/b5-3+,8-4-,9-7-.
What are the key properties of (2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal?
(2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal has a molecular weight of 184.19 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-[(Z)-2-hydroxy-1-methoxyethenyl]-5-methoxypenta-2,4-dienal is sourced from PubChem (CID 59671804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).