syn-Tricyclo(6.2.0.03,6)decane-2,7-dione

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Basic information

CAS: 87305-42-8
Standard SMILES: O=C1C2CCC2C(=O)C2CCC12
InChIKey: XVOUTQMRFQTWOB-UHFFFAOYSA-N
Molecular formula: C10H12O2
Average molar mass: 164.2 g/mol
Monoisotopic mass: 164.08372962

Names & identifiers

Preferred name: syn-Tricyclo(6.2.0.03,6)decane-2,7-dione
IUPAC: tricyclo[6.2.0.03,6]decane-2,7-dione

Names & synonyms

syn-Tricyclo(6.2.0.03,6)decane-2,7-dione87305-42-8anti-Tricyclo(6.2.0.03,6)decane-2,7-dioneanti-Tricyclo[6.2.0.03,6]decane-2,7-dionesyn-Tricyclo[6.2.0.03,6]decane-2,7-dioneTricyclo[6.2.0.03,6]decane-2,7-dioneDTXSID20100748587305-43-9Tricyclo[6.2.0.0~3,6~]decane-2,7-dione

Database identifiers

CAS: 87305-42-8、87305-43-9
PubChem CID: 145128
DTXSID: DTXSID201007485

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 217

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Compound notes

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