tricyclo[4.4.1.01,6]undeca-3,8-diene-2,7-dione

C11H10O2 — CID 130031205

IUPACtricyclo[4.4.1.01,6]undeca-3,8-diene-2,7-dione
SMILESO=C1C=CCC23CC12CC=CC3=O
InChIInChI=1S/C11H10O2/c12-8-3-1-5-10-7-11(8,10)6-2-4-9(10)13/h1-4H,5-7H2
InChIKeyPJKQVLVRIADDLH-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.42
Rot. Bonds

About tricyclo[4.4.1.01,6]undeca-3,8-diene-2,7-dione

tricyclo[4.4.1.01,6]undeca-3,8-diene-2,7-dione (PubChem CID 130031205) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is tricyclo[4.4.1.01,6]undeca-3,8-diene-2,7-dione.

Molecular Properties

Compound Nametricyclo[4.4.1.01,6]undeca-3,8-diene-2,7-dione
PubChem CID130031205
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Nametricyclo[4.4.1.01,6]undeca-3,8-diene-2,7-dione
SMILESO=C1C=CCC23CC12CC=CC3=O
InChIInChI=1S/C11H10O2/c12-8-3-1-5-10-7-11(8,10)6-2-4-9(10)13/h1-4H,5-7H2
InChIKeyPJKQVLVRIADDLH-UHFFFAOYSA-N
XLogP1.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one
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tricyclo[4.4.3.01,6]tridec-3-ene-11,12,13-trione
CID 90482245
7-oxadispiro[4.0.46.45]tetradec-12-en-11-one
CID 14932389
5-hydroxy-5-methylcyclohex-2-en-1-one
CID 89287800
2,2-dimethyl-1,3-dihydropyridin-6-one
CID 71348150
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CID 101464848
6,6-dimethyl-1-oxo-2H-thiopyran-5-one
CID 86170417
5,5-dimethylcyclohept-2-en-1-one
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CID 14759141

Frequently Asked Questions

What is the IUPAC name of tricyclo[4.4.1.01,6]undeca-3,8-diene-2,7-dione?
The IUPAC name of tricyclo[4.4.1.01,6]undeca-3,8-diene-2,7-dione (CID 130031205) is tricyclo[4.4.1.01,6]undeca-3,8-diene-2,7-dione.
What is the SMILES notation for tricyclo[4.4.1.01,6]undeca-3,8-diene-2,7-dione?
The canonical SMILES for tricyclo[4.4.1.01,6]undeca-3,8-diene-2,7-dione is O=C1C=CCC23CC12CC=CC3=O.
What is the InChIKey of tricyclo[4.4.1.01,6]undeca-3,8-diene-2,7-dione?
The InChIKey is PJKQVLVRIADDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-8-3-1-5-10-7-11(8,10)6-2-4-9(10)13/h1-4H,5-7H2.
What are the key properties of tricyclo[4.4.1.01,6]undeca-3,8-diene-2,7-dione?
tricyclo[4.4.1.01,6]undeca-3,8-diene-2,7-dione has a molecular weight of 174.20 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.4.1.01,6]undeca-3,8-diene-2,7-dione is sourced from PubChem (CID 130031205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).