4-ethoxy-2,3-dimethylcyclobut-2-en-1-one

C8H12O2 — CID 12614084

IUPAC4-ethoxy-2,3-dimethylcyclobut-2-en-1-one
SMILESCCOC1C(=O)C(C)=C1C
InChIInChI=1S/C8H12O2/c1-4-10-8-6(3)5(2)7(8)9/h8H,4H2,1-3H3
InChIKeyIXUJZCXMWCXCDI-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds2

About 4-ethoxy-2,3-dimethylcyclobut-2-en-1-one

4-ethoxy-2,3-dimethylcyclobut-2-en-1-one (PubChem CID 12614084) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-ethoxy-2,3-dimethylcyclobut-2-en-1-one.

Molecular Properties

Compound Name4-ethoxy-2,3-dimethylcyclobut-2-en-1-one
PubChem CID12614084
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-ethoxy-2,3-dimethylcyclobut-2-en-1-one
SMILESCCOC1C(=O)C(C)=C1C
InChIInChI=1S/C8H12O2/c1-4-10-8-6(3)5(2)7(8)9/h8H,4H2,1-3H3
InChIKeyIXUJZCXMWCXCDI-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,3-dimethylcyclobut-2-en-1-one?
The IUPAC name of 4-ethoxy-2,3-dimethylcyclobut-2-en-1-one (CID 12614084) is 4-ethoxy-2,3-dimethylcyclobut-2-en-1-one.
What is the SMILES notation for 4-ethoxy-2,3-dimethylcyclobut-2-en-1-one?
The canonical SMILES for 4-ethoxy-2,3-dimethylcyclobut-2-en-1-one is CCOC1C(=O)C(C)=C1C.
What is the InChIKey of 4-ethoxy-2,3-dimethylcyclobut-2-en-1-one?
The InChIKey is IXUJZCXMWCXCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-10-8-6(3)5(2)7(8)9/h8H,4H2,1-3H3.
What are the key properties of 4-ethoxy-2,3-dimethylcyclobut-2-en-1-one?
4-ethoxy-2,3-dimethylcyclobut-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,3-dimethylcyclobut-2-en-1-one is sourced from PubChem (CID 12614084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).