tricyclo[3.3.2.01,5]decane-3,7-dione

C10H12O2 — CID 130831623

IUPACtricyclo[3.3.2.01,5]decane-3,7-dione
SMILESO=C1CC23CCC2(C1)CC(=O)C3
InChIInChI=1S/C10H12O2/c11-7-3-9-1-2-10(9,5-7)6-8(12)4-9/h1-6H2
InChIKeyQPJFXUZDZXCCKM-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.48
Rot. Bonds

About tricyclo[3.3.2.01,5]decane-3,7-dione

tricyclo[3.3.2.01,5]decane-3,7-dione (PubChem CID 130831623) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is tricyclo[3.3.2.01,5]decane-3,7-dione.

Molecular Properties

Compound Nametricyclo[3.3.2.01,5]decane-3,7-dione
PubChem CID130831623
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Nametricyclo[3.3.2.01,5]decane-3,7-dione
SMILESO=C1CC23CCC2(C1)CC(=O)C3
InChIInChI=1S/C10H12O2/c11-7-3-9-1-2-10(9,5-7)6-8(12)4-9/h1-6H2
InChIKeyQPJFXUZDZXCCKM-UHFFFAOYSA-N
XLogP1.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3,3-diaminocyclobutan-1-one
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6,6-dimethylspiro[2.3]hexan-5-one
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7-oxaspiro[3.5]nonan-2-one
CID 67451909
dispiro[3.1.36.14]decan-8-one
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1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 13449492
spiro[4.6]undecan-10-one
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4-oxocyclohexane-1,1-dicarbonitrile
CID 57429298
CID 58107236
CID 58107236

Frequently Asked Questions

What is the IUPAC name of tricyclo[3.3.2.01,5]decane-3,7-dione?
The IUPAC name of tricyclo[3.3.2.01,5]decane-3,7-dione (CID 130831623) is tricyclo[3.3.2.01,5]decane-3,7-dione.
What is the SMILES notation for tricyclo[3.3.2.01,5]decane-3,7-dione?
The canonical SMILES for tricyclo[3.3.2.01,5]decane-3,7-dione is O=C1CC23CCC2(C1)CC(=O)C3.
What is the InChIKey of tricyclo[3.3.2.01,5]decane-3,7-dione?
The InChIKey is QPJFXUZDZXCCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-7-3-9-1-2-10(9,5-7)6-8(12)4-9/h1-6H2.
What are the key properties of tricyclo[3.3.2.01,5]decane-3,7-dione?
tricyclo[3.3.2.01,5]decane-3,7-dione has a molecular weight of 164.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.3.2.01,5]decane-3,7-dione is sourced from PubChem (CID 130831623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).