tricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone

C10H2O4 — CID 102324557

IUPACtricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone
SMILESO=c1c(=O)c2cc3c(=O)c(=O)c3cc12
InChIInChI=1S/C10H2O4/c11-7-3-1-4-6(10(14)8(4)12)2-5(3)9(7)13/h1-2H
InChIKeyLQBWKDJNDPSKHG-UHFFFAOYSA-N
MW186.12 g/mol
LogP-0.81
Rot. Bonds

About tricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone

tricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone (PubChem CID 102324557) has the molecular formula C10H2O4 and a molecular weight of 186.12 g/mol. Its IUPAC name is tricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone.

Molecular Properties

Compound Nametricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone
PubChem CID102324557
Molecular FormulaC10H2O4
Molecular Weight186.12 g/mol
Exact Mass186.00
IUPAC Nametricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone
SMILESO=c1c(=O)c2cc3c(=O)c(=O)c3cc12
InChIInChI=1S/C10H2O4/c11-7-3-1-4-6(10(14)8(4)12)2-5(3)9(7)13/h1-2H
InChIKeyLQBWKDJNDPSKHG-UHFFFAOYSA-N
XLogP-0.81
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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nonacyclo[20.16.0.03,20.05,18.07,16.09,14.024,37.026,35.028,33]octatriaconta-1(22),2,5(18),7(16),9(14),20,24(37),26(35),28(33)-nonaene-4,6,8,15,17,19,23,25,27,34,36,38-dodecone
CID 71330070
3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione
CID 11784207
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CID 58224325
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CID 58224410
6,15-diiodo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione
CID 58224393
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CID 58731966
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CID 153364564
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CID 100972739
5-(4-methoxyphenyl)indene-1,2,3-trione
CID 58803268

Frequently Asked Questions

What is the IUPAC name of tricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone?
The IUPAC name of tricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone (CID 102324557) is tricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone.
What is the SMILES notation for tricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone?
The canonical SMILES for tricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone is O=c1c(=O)c2cc3c(=O)c(=O)c3cc12.
What is the InChIKey of tricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone?
The InChIKey is LQBWKDJNDPSKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2O4/c11-7-3-1-4-6(10(14)8(4)12)2-5(3)9(7)13/h1-2H.
What are the key properties of tricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone?
tricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone has a molecular weight of 186.12 g/mol, XLogP of -0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.2.0.03,6]deca-1(8),2,6-triene-4,5,9,10-tetrone is sourced from PubChem (CID 102324557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).