3-methoxy-2-methylcyclobut-2-en-1-one

C6H8O2 — CID 51356375

IUPAC3-methoxy-2-methylcyclobut-2-en-1-one
SMILESCOC1=C(C)C(=O)C1
InChIInChI=1S/C6H8O2/c1-4-5(7)3-6(4)8-2/h3H2,1-2H3
InChIKeyJAXYJJWWRJROSS-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.88
Rot. Bonds1

About 3-methoxy-2-methylcyclobut-2-en-1-one

3-methoxy-2-methylcyclobut-2-en-1-one (PubChem CID 51356375) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 3-methoxy-2-methylcyclobut-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2-methylcyclobut-2-en-1-one
PubChem CID51356375
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name3-methoxy-2-methylcyclobut-2-en-1-one
SMILESCOC1=C(C)C(=O)C1
InChIInChI=1S/C6H8O2/c1-4-5(7)3-6(4)8-2/h3H2,1-2H3
InChIKeyJAXYJJWWRJROSS-UHFFFAOYSA-N
XLogP0.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylcyclobut-2-en-1-one?
The IUPAC name of 3-methoxy-2-methylcyclobut-2-en-1-one (CID 51356375) is 3-methoxy-2-methylcyclobut-2-en-1-one.
What is the SMILES notation for 3-methoxy-2-methylcyclobut-2-en-1-one?
The canonical SMILES for 3-methoxy-2-methylcyclobut-2-en-1-one is COC1=C(C)C(=O)C1.
What is the InChIKey of 3-methoxy-2-methylcyclobut-2-en-1-one?
The InChIKey is JAXYJJWWRJROSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-4-5(7)3-6(4)8-2/h3H2,1-2H3.
What are the key properties of 3-methoxy-2-methylcyclobut-2-en-1-one?
3-methoxy-2-methylcyclobut-2-en-1-one has a molecular weight of 112.13 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylcyclobut-2-en-1-one is sourced from PubChem (CID 51356375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).