3-ethoxy-4-methylcyclobut-2-en-1-one

C7H10O2 — CID 130030314

IUPAC3-ethoxy-4-methylcyclobut-2-en-1-one
SMILESCCOC1=CC(=O)C1C
InChIInChI=1S/C7H10O2/c1-3-9-7-4-6(8)5(7)2/h4-5H,3H2,1-2H3
InChIKeyCURYDTHVYVHSFJ-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.13
Rot. Bonds2

About 3-ethoxy-4-methylcyclobut-2-en-1-one

3-ethoxy-4-methylcyclobut-2-en-1-one (PubChem CID 130030314) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 3-ethoxy-4-methylcyclobut-2-en-1-one.

Molecular Properties

Compound Name3-ethoxy-4-methylcyclobut-2-en-1-one
PubChem CID130030314
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name3-ethoxy-4-methylcyclobut-2-en-1-one
SMILESCCOC1=CC(=O)C1C
InChIInChI=1S/C7H10O2/c1-3-9-7-4-6(8)5(7)2/h4-5H,3H2,1-2H3
InChIKeyCURYDTHVYVHSFJ-UHFFFAOYSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methylcyclobut-2-en-1-one?
The IUPAC name of 3-ethoxy-4-methylcyclobut-2-en-1-one (CID 130030314) is 3-ethoxy-4-methylcyclobut-2-en-1-one.
What is the SMILES notation for 3-ethoxy-4-methylcyclobut-2-en-1-one?
The canonical SMILES for 3-ethoxy-4-methylcyclobut-2-en-1-one is CCOC1=CC(=O)C1C.
What is the InChIKey of 3-ethoxy-4-methylcyclobut-2-en-1-one?
The InChIKey is CURYDTHVYVHSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-9-7-4-6(8)5(7)2/h4-5H,3H2,1-2H3.
What are the key properties of 3-ethoxy-4-methylcyclobut-2-en-1-one?
3-ethoxy-4-methylcyclobut-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methylcyclobut-2-en-1-one is sourced from PubChem (CID 130030314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).