7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione

C10H6O4 — CID 157330264

IUPAC7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione
SMILESC=Cc1cc2ccc1C(=O)OOC2=O
InChIInChI=1S/C10H6O4/c1-2-6-5-7-3-4-8(6)10(12)14-13-9(7)11/h2-5H,1H2
InChIKeyBFEZCCMGSOWXSG-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.57
Rot. Bonds1

About 7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione

7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione (PubChem CID 157330264) has the molecular formula C10H6O4 and a molecular weight of 190.15 g/mol. Its IUPAC name is 7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione.

Molecular Properties

Compound Name7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione
PubChem CID157330264
Molecular FormulaC10H6O4
Molecular Weight190.15 g/mol
Exact Mass190.03
IUPAC Name7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione
SMILESC=Cc1cc2ccc1C(=O)OOC2=O
InChIInChI=1S/C10H6O4/c1-2-6-5-7-3-4-8(6)10(12)14-13-9(7)11/h2-5H,1H2
InChIKeyBFEZCCMGSOWXSG-UHFFFAOYSA-N
XLogP1.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione with MolForge

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Related Compounds

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CID 102258512
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2-(2-ethenylphenyl)anthracene
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4-(4-bromophenyl)-3-ethenylbenzonitrile
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5-[4-[4-[4-(1,3-dioxo-2-benzofuran-5-yl)phenyl]phenyl]phenyl]-2-benzofuran-1,3-dione
CID 102372125
CID 67878092
CID 67878092
1,2-bis(ethenyl)benzene;platinum
CID 175428021
4-[2,5-bis(ethenyl)-4-(3-ethenyl-4-pyridinyl)phenyl]-3-ethenylpyridine
CID 102110528
2-[3,4-bis(ethenyl)phenyl]-7-phenanthren-9-ylphenanthrene
CID 143742939
1-ethenyl-2,3-diphenyl-4-(3-phenylphenyl)benzene
CID 91153178

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione?
The IUPAC name of 7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione (CID 157330264) is 7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione.
What is the SMILES notation for 7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione?
The canonical SMILES for 7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione is C=Cc1cc2ccc1C(=O)OOC2=O.
What is the InChIKey of 7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione?
The InChIKey is BFEZCCMGSOWXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O4/c1-2-6-5-7-3-4-8(6)10(12)14-13-9(7)11/h2-5H,1H2.
What are the key properties of 7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione?
7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione has a molecular weight of 190.15 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-3,4-dioxabicyclo[4.2.2]deca-1(8),6,9-triene-2,5-dione is sourced from PubChem (CID 157330264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).