bicyclo[5.2.1]decane-2,6-dione

C10H14O2 — CID 13115377

IUPACbicyclo[5.2.1]decane-2,6-dione
SMILESO=C1CCCC(=O)C2CCC1C2
InChIInChI=1S/C10H14O2/c11-9-2-1-3-10(12)8-5-4-7(9)6-8/h7-8H,1-6H2
InChIKeyYNAORWONHPHXIG-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.72
Rot. Bonds

About bicyclo[5.2.1]decane-2,6-dione

bicyclo[5.2.1]decane-2,6-dione (PubChem CID 13115377) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is bicyclo[5.2.1]decane-2,6-dione.

Molecular Properties

Compound Namebicyclo[5.2.1]decane-2,6-dione
PubChem CID13115377
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namebicyclo[5.2.1]decane-2,6-dione
SMILESO=C1CCCC(=O)C2CCC1C2
InChIInChI=1S/C10H14O2/c11-9-2-1-3-10(12)8-5-4-7(9)6-8/h7-8H,1-6H2
InChIKeyYNAORWONHPHXIG-UHFFFAOYSA-N
XLogP1.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[5.2.1]decane-2,6-dione?
The IUPAC name of bicyclo[5.2.1]decane-2,6-dione (CID 13115377) is bicyclo[5.2.1]decane-2,6-dione.
What is the SMILES notation for bicyclo[5.2.1]decane-2,6-dione?
The canonical SMILES for bicyclo[5.2.1]decane-2,6-dione is O=C1CCCC(=O)C2CCC1C2.
What is the InChIKey of bicyclo[5.2.1]decane-2,6-dione?
The InChIKey is YNAORWONHPHXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-9-2-1-3-10(12)8-5-4-7(9)6-8/h7-8H,1-6H2.
What are the key properties of bicyclo[5.2.1]decane-2,6-dione?
bicyclo[5.2.1]decane-2,6-dione has a molecular weight of 166.22 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[5.2.1]decane-2,6-dione is sourced from PubChem (CID 13115377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).