4,5-dimethoxy-2-(2-methoxyprop-1-enyl)penta-2,4-dienal

C11H16O4 — CID 123410369

IUPAC4,5-dimethoxy-2-(2-methoxyprop-1-enyl)penta-2,4-dienal
SMILESCOC=C(C=C(C=O)C=C(C)OC)OC
InChIInChI=1S/C11H16O4/c1-9(14-3)5-10(7-12)6-11(15-4)8-13-2/h5-8H,1-4H3
InChIKeyOCWQLKAVNGNTDH-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.80
Rot. Bonds6

About 4,5-dimethoxy-2-(2-methoxyprop-1-enyl)penta-2,4-dienal

4,5-dimethoxy-2-(2-methoxyprop-1-enyl)penta-2,4-dienal (PubChem CID 123410369) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(2-methoxyprop-1-enyl)penta-2,4-dienal.

Molecular Properties

Compound Name4,5-dimethoxy-2-(2-methoxyprop-1-enyl)penta-2,4-dienal
PubChem CID123410369
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name4,5-dimethoxy-2-(2-methoxyprop-1-enyl)penta-2,4-dienal
SMILESCOC=C(C=C(C=O)C=C(C)OC)OC
InChIInChI=1S/C11H16O4/c1-9(14-3)5-10(7-12)6-11(15-4)8-13-2/h5-8H,1-4H3
InChIKeyOCWQLKAVNGNTDH-UHFFFAOYSA-N
XLogP1.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(2-methoxyprop-1-enyl)penta-2,4-dienal?
The IUPAC name of 4,5-dimethoxy-2-(2-methoxyprop-1-enyl)penta-2,4-dienal (CID 123410369) is 4,5-dimethoxy-2-(2-methoxyprop-1-enyl)penta-2,4-dienal.
What is the SMILES notation for 4,5-dimethoxy-2-(2-methoxyprop-1-enyl)penta-2,4-dienal?
The canonical SMILES for 4,5-dimethoxy-2-(2-methoxyprop-1-enyl)penta-2,4-dienal is COC=C(C=C(C=O)C=C(C)OC)OC.
What is the InChIKey of 4,5-dimethoxy-2-(2-methoxyprop-1-enyl)penta-2,4-dienal?
The InChIKey is OCWQLKAVNGNTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-9(14-3)5-10(7-12)6-11(15-4)8-13-2/h5-8H,1-4H3.
What are the key properties of 4,5-dimethoxy-2-(2-methoxyprop-1-enyl)penta-2,4-dienal?
4,5-dimethoxy-2-(2-methoxyprop-1-enyl)penta-2,4-dienal has a molecular weight of 212.24 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(2-methoxyprop-1-enyl)penta-2,4-dienal is sourced from PubChem (CID 123410369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).