3,4-dimethoxybut-1-ene

C6H12O2 — CID 10866307

IUPAC3,4-dimethoxybut-1-ene
SMILESC=CC(COC)OC
InChIInChI=1S/C6H12O2/c1-4-6(8-3)5-7-2/h4,6H,1,5H2,2-3H3
InChIKeyIQYJHLNENJKEMV-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.83
Rot. Bonds4

About 3,4-dimethoxybut-1-ene

3,4-dimethoxybut-1-ene (PubChem CID 10866307) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3,4-dimethoxybut-1-ene.

Molecular Properties

Compound Name3,4-dimethoxybut-1-ene
PubChem CID10866307
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3,4-dimethoxybut-1-ene
SMILESC=CC(COC)OC
InChIInChI=1S/C6H12O2/c1-4-6(8-3)5-7-2/h4,6H,1,5H2,2-3H3
InChIKeyIQYJHLNENJKEMV-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
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 3,4-dimethoxybut-1-ene?
The IUPAC name of 3,4-dimethoxybut-1-ene (CID 10866307) is 3,4-dimethoxybut-1-ene.
What is the SMILES notation for 3,4-dimethoxybut-1-ene?
The canonical SMILES for 3,4-dimethoxybut-1-ene is C=CC(COC)OC.
What is the InChIKey of 3,4-dimethoxybut-1-ene?
The InChIKey is IQYJHLNENJKEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-4-6(8-3)5-7-2/h4,6H,1,5H2,2-3H3.
What are the key properties of 3,4-dimethoxybut-1-ene?
3,4-dimethoxybut-1-ene has a molecular weight of 116.16 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxybut-1-ene is sourced from PubChem (CID 10866307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).