3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione

C10H10O4 — CID 15663700

IUPAC3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione
SMILESC=CCOc1c(OCC=C)c(=O)c1=O
InChIInChI=1S/C10H10O4/c1-3-5-13-9-7(11)8(12)10(9)14-6-4-2/h3-4H,1-2,5-6H2
InChIKeyOQTJVAMKSMDBSR-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.41
Rot. Bonds6

About 3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione

3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione (PubChem CID 15663700) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione
PubChem CID15663700
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione
SMILESC=CCOc1c(OCC=C)c(=O)c1=O
InChIInChI=1S/C10H10O4/c1-3-5-13-9-7(11)8(12)10(9)14-6-4-2/h3-4H,1-2,5-6H2
InChIKeyOQTJVAMKSMDBSR-UHFFFAOYSA-N
XLogP0.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione?
The IUPAC name of 3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione (CID 15663700) is 3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione is C=CCOc1c(OCC=C)c(=O)c1=O.
What is the InChIKey of 3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione?
The InChIKey is OQTJVAMKSMDBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-3-5-13-9-7(11)8(12)10(9)14-6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of 3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione?
3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione has a molecular weight of 194.19 g/mol, XLogP of 0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 15663700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).