Basic information
- CAS
69461-92-3- Standard SMILES
O=C1C2C3CC4C1C1C2CC3C41- InChIKey
XGWUKTZSTPLHEO-UHFFFAOYSA-N- Molecular formula
- C11H12O
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.088815
Names & identifiers
- Preferred name
- Pentacyclo[6.3.0.0(2,7).0(4,11).0(5,9)]undecan-3-one
- IUPAC
- pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-one
- English name
- Pentacyclo[5.4.0.02,6.0.3,10.05,9]undecan-8-one
- Molecular weight
- 0
Names & synonyms
69649-19-0Pentacyclo[6.3.0.0(2,7).0(4,11).0(5,9)]undecan-3-one69461-92-3pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-onePentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecan-8-onepentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecan-8-oneOctahydro-5H-2,4,1-(epiethane[1,1,2]triyl)cyclobuta[cd]pentalen-5-onePentacyclo(5.4.0.02,6.0.3,10.05,9)undecan-8-onePentacyclo[5.4.0.02,6.0.3,10.05,9]undecan-8-oneOctahydro-1H-2,4,1-(ethane[1,1,2]triyl)cyclobuta[cd]pentalen-7-onepentacyclo[5.4.0.0?,?.0?,??.0?,?]undecan-8-onestarbld0045559
Show more names
DTXSID50989371DTXSID90276393XGWUKTZSTPLHEO-UHFFFAOYSA-NHMS1723J08RCL S18326UCA64919AKOS001031463AKOS016876362
Database identifiers
- CAS
69461-92-3、69649-19-0- PubChem CID
- 144352
- DTXSID
DTXSID50989371- Nikkaji
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 321
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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