3-ethenyl-4-ethoxycyclobut-3-ene-1,2-dione

C8H8O3 — CID 15185750

IUPAC3-ethenyl-4-ethoxycyclobut-3-ene-1,2-dione
SMILESC=Cc1c(OCC)c(=O)c1=O
InChIInChI=1S/C8H8O3/c1-3-5-6(9)7(10)8(5)11-4-2/h3H,1,4H2,2H3
InChIKeyGKHMHFSPNOHTDS-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.32
Rot. Bonds3

About 3-ethenyl-4-ethoxycyclobut-3-ene-1,2-dione

3-ethenyl-4-ethoxycyclobut-3-ene-1,2-dione (PubChem CID 15185750) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 3-ethenyl-4-ethoxycyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-ethenyl-4-ethoxycyclobut-3-ene-1,2-dione
PubChem CID15185750
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name3-ethenyl-4-ethoxycyclobut-3-ene-1,2-dione
SMILESC=Cc1c(OCC)c(=O)c1=O
InChIInChI=1S/C8H8O3/c1-3-5-6(9)7(10)8(5)11-4-2/h3H,1,4H2,2H3
InChIKeyGKHMHFSPNOHTDS-UHFFFAOYSA-N
XLogP0.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-ethoxycyclobut-3-ene-1,2-dione?
The IUPAC name of 3-ethenyl-4-ethoxycyclobut-3-ene-1,2-dione (CID 15185750) is 3-ethenyl-4-ethoxycyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-ethenyl-4-ethoxycyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-ethenyl-4-ethoxycyclobut-3-ene-1,2-dione is C=Cc1c(OCC)c(=O)c1=O.
What is the InChIKey of 3-ethenyl-4-ethoxycyclobut-3-ene-1,2-dione?
The InChIKey is GKHMHFSPNOHTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-3-5-6(9)7(10)8(5)11-4-2/h3H,1,4H2,2H3.
What are the key properties of 3-ethenyl-4-ethoxycyclobut-3-ene-1,2-dione?
3-ethenyl-4-ethoxycyclobut-3-ene-1,2-dione has a molecular weight of 152.15 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-ethoxycyclobut-3-ene-1,2-dione is sourced from PubChem (CID 15185750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).