1-methoxy-2,3-dimethylbut-2-ene

C7H14O — CID 567279

IUPAC1-methoxy-2,3-dimethylbut-2-ene
SMILESCOCC(C)=C(C)C
InChIInChI=1S/C7H14O/c1-6(2)7(3)5-8-4/h5H2,1-4H3
InChIKeyUENHVDJOWXUDIM-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.99
Rot. Bonds2

About 1-methoxy-2,3-dimethylbut-2-ene

1-methoxy-2,3-dimethylbut-2-ene (PubChem CID 567279) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-methoxy-2,3-dimethylbut-2-ene.

Molecular Properties

Compound Name1-methoxy-2,3-dimethylbut-2-ene
PubChem CID567279
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name1-methoxy-2,3-dimethylbut-2-ene
SMILESCOCC(C)=C(C)C
InChIInChI=1S/C7H14O/c1-6(2)7(3)5-8-4/h5H2,1-4H3
InChIKeyUENHVDJOWXUDIM-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-methoxy-2,3-dimethylbut-2-ene?
The IUPAC name of 1-methoxy-2,3-dimethylbut-2-ene (CID 567279) is 1-methoxy-2,3-dimethylbut-2-ene.
What is the SMILES notation for 1-methoxy-2,3-dimethylbut-2-ene?
The canonical SMILES for 1-methoxy-2,3-dimethylbut-2-ene is COCC(C)=C(C)C.
What is the InChIKey of 1-methoxy-2,3-dimethylbut-2-ene?
The InChIKey is UENHVDJOWXUDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-6(2)7(3)5-8-4/h5H2,1-4H3.
What are the key properties of 1-methoxy-2,3-dimethylbut-2-ene?
1-methoxy-2,3-dimethylbut-2-ene has a molecular weight of 114.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3-dimethylbut-2-ene is sourced from PubChem (CID 567279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).