bicyclo[3.3.2]decane-2,7-dione

C10H14O2 — CID 85344457

IUPACbicyclo[3.3.2]decane-2,7-dione
SMILESO=C1CC2CCC(=O)C(CC2)C1
InChIInChI=1S/C10H14O2/c11-9-5-7-1-3-8(6-9)10(12)4-2-7/h7-8H,1-6H2
InChIKeyJAUSJCNOUNSOSQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.72
Rot. Bonds

About bicyclo[3.3.2]decane-2,7-dione

bicyclo[3.3.2]decane-2,7-dione (PubChem CID 85344457) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is bicyclo[3.3.2]decane-2,7-dione.

Molecular Properties

Compound Namebicyclo[3.3.2]decane-2,7-dione
PubChem CID85344457
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Namebicyclo[3.3.2]decane-2,7-dione
SMILESO=C1CC2CCC(=O)C(CC2)C1
InChIInChI=1S/C10H14O2/c11-9-5-7-1-3-8(6-9)10(12)4-2-7/h7-8H,1-6H2
InChIKeyJAUSJCNOUNSOSQ-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[3.3.2]decane-2,7-dione?
The IUPAC name of bicyclo[3.3.2]decane-2,7-dione (CID 85344457) is bicyclo[3.3.2]decane-2,7-dione.
What is the SMILES notation for bicyclo[3.3.2]decane-2,7-dione?
The canonical SMILES for bicyclo[3.3.2]decane-2,7-dione is O=C1CC2CCC(=O)C(CC2)C1.
What is the InChIKey of bicyclo[3.3.2]decane-2,7-dione?
The InChIKey is JAUSJCNOUNSOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-9-5-7-1-3-8(6-9)10(12)4-2-7/h7-8H,1-6H2.
What are the key properties of bicyclo[3.3.2]decane-2,7-dione?
bicyclo[3.3.2]decane-2,7-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[3.3.2]decane-2,7-dione is sourced from PubChem (CID 85344457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).