7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione

C12H12O4 — CID 134856266

IUPAC7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione
SMILESO=C1C=COC2(COC(=O)C23CC=CC3)C1
InChIInChI=1S/C12H12O4/c13-9-3-6-16-12(7-9)8-15-10(14)11(12)4-1-2-5-11/h1-3,6H,4-5,7-8H2
InChIKeyUGDUSBQNRXVTMZ-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.12
Rot. Bonds

About 7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione

7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione (PubChem CID 134856266) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione.

Molecular Properties

Compound Name7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione
PubChem CID134856266
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione
SMILESO=C1C=COC2(COC(=O)C23CC=CC3)C1
InChIInChI=1S/C12H12O4/c13-9-3-6-16-12(7-9)8-15-10(14)11(12)4-1-2-5-11/h1-3,6H,4-5,7-8H2
InChIKeyUGDUSBQNRXVTMZ-UHFFFAOYSA-N
XLogP1.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione with MolForge

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Related Compounds

(1S,6R)-8-oxatricyclo[4.3.3.01,6]dodec-3-en-7-one
CID 10773668
1,6-dioxaspiro[4.5]dec-7-en-9-one
CID 13067704
2,2-diphenyl-3H-pyran-4-one
CID 72942613
1-oxaspiro[5.5]undeca-2,10-dien-4-one
CID 102029700
(2S)-2-methyl-4-oxo-3H-pyran-2-carboxylic acid
CID 90471039
3a,7a-dimethyl-4,7-dihydro-3H-2-benzofuran-1-one
CID 89303981
2-(methoxymethyl)-2-methyl-3H-pyran-4-one
CID 16749756
(1S,6S)-3-oxatricyclo[4.4.4.01,6]tetradec-8-ene-2,4-dione
CID 98164295
3-methylspiro[2,3-dihydrochromene-4,2'-3H-pyran]-4'-one
CID 104524767
9,9-dimethyl-1-oxaspiro[5.6]dodec-2-en-4-one
CID 65087699
1-oxaspiro[2.4]hept-4-en-6-one
CID 87510958
5-hydroxy-5-methylcyclohex-2-en-1-one
CID 89287800

Frequently Asked Questions

What is the IUPAC name of 7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione?
The IUPAC name of 7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione (CID 134856266) is 7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione.
What is the SMILES notation for 7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione?
The canonical SMILES for 7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione is O=C1C=COC2(COC(=O)C23CC=CC3)C1.
What is the InChIKey of 7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione?
The InChIKey is UGDUSBQNRXVTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c13-9-3-6-16-12(7-9)8-15-10(14)11(12)4-1-2-5-11/h1-3,6H,4-5,7-8H2.
What are the key properties of 7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione?
7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione has a molecular weight of 220.22 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,13-dioxadispiro[4.0.56.35]tetradeca-2,8-diene-10,14-dione is sourced from PubChem (CID 134856266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).