(E)-1,4-dimethoxybut-2-ene

C6H12O2 — CID 5362882

IUPAC(E)-1,4-dimethoxybut-2-ene
SMILESCOC/C=C/COC
InChIInChI=1S/C6H12O2/c1-7-5-3-4-6-8-2/h3-4H,5-6H2,1-2H3/b4-3+
InChIKeyRXNMLQHZBCJMBA-ONEGZZNKSA-N
MW116.16 g/mol
LogP0.84
Rot. Bonds4

About (E)-1,4-dimethoxybut-2-ene

(E)-1,4-dimethoxybut-2-ene (PubChem CID 5362882) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (E)-1,4-dimethoxybut-2-ene.

Molecular Properties

Compound Name(E)-1,4-dimethoxybut-2-ene
PubChem CID5362882
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(E)-1,4-dimethoxybut-2-ene
SMILESCOC/C=C/COC
InChIInChI=1S/C6H12O2/c1-7-5-3-4-6-8-2/h3-4H,5-6H2,1-2H3/b4-3+
InChIKeyRXNMLQHZBCJMBA-ONEGZZNKSA-N
XLogP0.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,4-dimethoxybut-2-ene?
The IUPAC name of (E)-1,4-dimethoxybut-2-ene (CID 5362882) is (E)-1,4-dimethoxybut-2-ene.
What is the SMILES notation for (E)-1,4-dimethoxybut-2-ene?
The canonical SMILES for (E)-1,4-dimethoxybut-2-ene is COC/C=C/COC.
What is the InChIKey of (E)-1,4-dimethoxybut-2-ene?
The InChIKey is RXNMLQHZBCJMBA-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H12O2/c1-7-5-3-4-6-8-2/h3-4H,5-6H2,1-2H3/b4-3+.
What are the key properties of (E)-1,4-dimethoxybut-2-ene?
(E)-1,4-dimethoxybut-2-ene has a molecular weight of 116.16 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-dimethoxybut-2-ene is sourced from PubChem (CID 5362882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).