3-ethoxy-2-ethylcyclobut-2-en-1-one

C8H12O2 — CID 130029399

IUPAC3-ethoxy-2-ethylcyclobut-2-en-1-one
SMILESCCOC1=C(CC)C(=O)C1
InChIInChI=1S/C8H12O2/c1-3-6-7(9)5-8(6)10-4-2/h3-5H2,1-2H3
InChIKeyNXLRNDJUFROOPA-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds3

About 3-ethoxy-2-ethylcyclobut-2-en-1-one

3-ethoxy-2-ethylcyclobut-2-en-1-one (PubChem CID 130029399) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-ethoxy-2-ethylcyclobut-2-en-1-one.

Molecular Properties

Compound Name3-ethoxy-2-ethylcyclobut-2-en-1-one
PubChem CID130029399
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-ethoxy-2-ethylcyclobut-2-en-1-one
SMILESCCOC1=C(CC)C(=O)C1
InChIInChI=1S/C8H12O2/c1-3-6-7(9)5-8(6)10-4-2/h3-5H2,1-2H3
InChIKeyNXLRNDJUFROOPA-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethylcyclobut-2-en-1-one?
The IUPAC name of 3-ethoxy-2-ethylcyclobut-2-en-1-one (CID 130029399) is 3-ethoxy-2-ethylcyclobut-2-en-1-one.
What is the SMILES notation for 3-ethoxy-2-ethylcyclobut-2-en-1-one?
The canonical SMILES for 3-ethoxy-2-ethylcyclobut-2-en-1-one is CCOC1=C(CC)C(=O)C1.
What is the InChIKey of 3-ethoxy-2-ethylcyclobut-2-en-1-one?
The InChIKey is NXLRNDJUFROOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-6-7(9)5-8(6)10-4-2/h3-5H2,1-2H3.
What are the key properties of 3-ethoxy-2-ethylcyclobut-2-en-1-one?
3-ethoxy-2-ethylcyclobut-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethylcyclobut-2-en-1-one is sourced from PubChem (CID 130029399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).