(Z)-2,3-dimethoxybut-2-enedial

C6H8O4 — CID 89174688

IUPAC(Z)-2,3-dimethoxybut-2-enedial
SMILESCO/C(C=O)=C(/C=O)OC
InChIInChI=1S/C6H8O4/c1-9-5(3-7)6(4-8)10-2/h3-4H,1-2H3/b6-5-
InChIKeyXARWFZMHODMVSB-WAYWQWQTSA-N
MW144.13 g/mol
LogP-0.11
Rot. Bonds4

About (Z)-2,3-dimethoxybut-2-enedial

(Z)-2,3-dimethoxybut-2-enedial (PubChem CID 89174688) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (Z)-2,3-dimethoxybut-2-enedial.

Molecular Properties

Compound Name(Z)-2,3-dimethoxybut-2-enedial
PubChem CID89174688
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(Z)-2,3-dimethoxybut-2-enedial
SMILESCO/C(C=O)=C(/C=O)OC
InChIInChI=1S/C6H8O4/c1-9-5(3-7)6(4-8)10-2/h3-4H,1-2H3/b6-5-
InChIKeyXARWFZMHODMVSB-WAYWQWQTSA-N
XLogP-0.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.11
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'}

Analyze (Z)-2,3-dimethoxybut-2-enedial 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 (Z)-2,3-dimethoxybut-2-enedial?
The IUPAC name of (Z)-2,3-dimethoxybut-2-enedial (CID 89174688) is (Z)-2,3-dimethoxybut-2-enedial.
What is the SMILES notation for (Z)-2,3-dimethoxybut-2-enedial?
The canonical SMILES for (Z)-2,3-dimethoxybut-2-enedial is CO/C(C=O)=C(/C=O)OC.
What is the InChIKey of (Z)-2,3-dimethoxybut-2-enedial?
The InChIKey is XARWFZMHODMVSB-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H8O4/c1-9-5(3-7)6(4-8)10-2/h3-4H,1-2H3/b6-5-.
What are the key properties of (Z)-2,3-dimethoxybut-2-enedial?
(Z)-2,3-dimethoxybut-2-enedial has a molecular weight of 144.13 g/mol, XLogP of -0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dimethoxybut-2-enedial is sourced from PubChem (CID 89174688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).