1,2-Epoxyoctahydropentalene
Basic information
- CAS
55449-70-2- Standard SMILES
C1CC2CC3OC3C2C1- InChIKey
WMSIDAPKDOLAKY-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 1,2-Epoxyoctahydropentalene
- IUPAC
- 3-oxatricyclo[4.3.0.02,4]nonane
- English name
- 1,2-epoxyoctahydropentalene
- Molecular formula
- C8H12O
- Molecular weight
- 124.18
Names & synonyms
6567-98-21,2-EpoxyoctahydropentaleneOCTAHYDROPENTALENO(1,2-B)OXIRENE55449-70-2EINECS 229-489-0SCHEMBL9821322SCHEMBL31274497Octahydropentaleno[1,2-b]oxirene #NS00046967Pentaleno[1,2-b]oxirene, octahydro-, (1a.alpha.,1b.alpha.,4a.beta.,5a.alpha.)-Octahydropentaleno[1,2-b]oxirenePentaleno[1,2-b]oxirene, octahydro-
Database identifiers
- CAS
55449-70-2、6567-98-2- PubChem CID
- 41447
- DTXSID
DTXSID60970790- EC Number
- 229-489-0
- Nikkaji
- J225.190F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 144
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Compound notes
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