Pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol
Basic information
- CAS
54397-80-7- Standard SMILES
OC1C2C3CC4C2C(O)C2C1C3C42- InChIKey
RQPANVDSQXLBNR-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- Pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol
- IUPAC
- pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol
- English name
- octahydro-1H-2,4,1-(epiethane[1,1,2]triyl)cyclobuta[cd]pentalene-5,7-diol
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
56143-86-354397-80-7octahydro-1H-2,4,1-(ethane[1,1,2]triyl)cyclobuta[cd]pentalene-5,7-diolpentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diolNSC177461Oprea1_597917CHEMBL2041535DTXSID90969516HMS1787K04RCL S975958NSC124100STL324722
Show more names
1,2,4-Ethanylylidene-1H-cyclobuta[cd]pentalene-5,7-diol, octahydro-
(8R,11S)-Pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diolAKOS001033421AKOS016874995NSC-124100NSC-177461Z56762200octahydro-1H-2,4,1-(epiethane[1,1,2]triyl)cyclobuta[cd]pentalene-5,7-diol
Database identifiers
- CAS
54397-80-7、56143-86-3- PubChem CID
- 276362
- DTXSID
DTXSID90969516- ChEMBL
CHEMBL2041535
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…