(1E,3E)-1,4-dimethoxybuta-1,3-diene

C6H10O2 — CID 5362907

IUPAC(1E,3E)-1,4-dimethoxybuta-1,3-diene
SMILESCO/C=C/C=C/OC
InChIInChI=1S/C6H10O2/c1-7-5-3-4-6-8-2/h3-6H,1-2H3/b5-3+,6-4+
InChIKeyZFOMGKMTIIJRAI-GGWOSOGESA-N
MW114.14 g/mol
LogP1.31
Rot. Bonds3

About (1E,3E)-1,4-dimethoxybuta-1,3-diene

(1E,3E)-1,4-dimethoxybuta-1,3-diene (PubChem CID 5362907) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (1E,3E)-1,4-dimethoxybuta-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-1,4-dimethoxybuta-1,3-diene
PubChem CID5362907
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(1E,3E)-1,4-dimethoxybuta-1,3-diene
SMILESCO/C=C/C=C/OC
InChIInChI=1S/C6H10O2/c1-7-5-3-4-6-8-2/h3-6H,1-2H3/b5-3+,6-4+
InChIKeyZFOMGKMTIIJRAI-GGWOSOGESA-N
XLogP1.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1,4-dimethoxybuta-1,3-diene?
The IUPAC name of (1E,3E)-1,4-dimethoxybuta-1,3-diene (CID 5362907) is (1E,3E)-1,4-dimethoxybuta-1,3-diene.
What is the SMILES notation for (1E,3E)-1,4-dimethoxybuta-1,3-diene?
The canonical SMILES for (1E,3E)-1,4-dimethoxybuta-1,3-diene is CO/C=C/C=C/OC.
What is the InChIKey of (1E,3E)-1,4-dimethoxybuta-1,3-diene?
The InChIKey is ZFOMGKMTIIJRAI-GGWOSOGESA-N. The full InChI is InChI=1S/C6H10O2/c1-7-5-3-4-6-8-2/h3-6H,1-2H3/b5-3+,6-4+.
What are the key properties of (1E,3E)-1,4-dimethoxybuta-1,3-diene?
(1E,3E)-1,4-dimethoxybuta-1,3-diene has a molecular weight of 114.14 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1,4-dimethoxybuta-1,3-diene is sourced from PubChem (CID 5362907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).