Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione

HCID 136556

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Basic information

CAS: 712-25-4
Standard SMILES: O=C1C2C3CCC4C2C(=O)C2C1C3C42
InChIKey: QKFUKYWULIYZFN-UHFFFAOYSA-N
Molecular formula: C12H12O2
Average molar mass: 188.22 g/mol
Monoisotopic mass: 188.08372962

Names & identifiers

Preferred name: Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dione
IUPAC: pentacyclo[6.4.0.02,7.03,11.06,10]dodecane-9,12-dione

Names & synonyms

712-25-4Octahydro-1,3,6-ethanylylidenecyclobuta(cd)indene-2,8(1H)-dioneNSC 177462RefChem:366747octahydro-3,6,1-(ethane[1,1,2]triyl)cyclobuta[cd]indene-2,8(1H)-dioneNSC177462DTXSID90991514QKFUKYWULIYZFN-UHFFFAOYSA-NNSC-177462pentacyclo[6.4.0.02,7.03,11.06,10]dodecan-9,12-dione1,3,6-ethanylylidenecyclobut[cd]indene-2,8(1H)-dione, octahydro-Octahydro-1,3,6-ethanylylidenecyclobuta [cd] indene-2,8(1H)-dione

Database identifiers

CAS: 712-25-4
PubChem CID: 136556
DTXSID: DTXSID90991514
Nikkaji: J691.289C

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 361

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