Basic information
- CAS
19915-11-8- Standard SMILES
O=C1CCC2CCCC12- InChIKey
NZTVVUIIJPWANB-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
- IUPAC
- 3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
- English name
- 3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
- Molecular formula
- C8H12O
- Molecular weight
- 0
Names & synonyms
Octahydropentalen-1-one3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one28569-63-3cis-Bicyclo(3.3.0)-octan-2-onecis-Bicyclo[3.3.0]-octan-2-onetrans-Bicyclo(3.3.0)-octan-2-onetrans-Bicyclo[3.3.0]-octan-2-onehexahydro-1(2H)-pentalenoneHexahydropentalen-1(2H)-onebicyclo[3,3,0]octan-2-onebicyclo[3,3,0]octan-6-oneSCHEMBL1626353
Show more names
SCHEMBL5744965bicyclo[3,3,0]-octan-6-oneDTXSID10941793NZTVVUIIJPWANB-UHFFFAOYSA-N2(1H)-Pentalenone, hexahydro-, cis-FR175636rac-(3aR,6aS)-Octahydropentalen-2-one, cisEN300-367234
Database identifiers
- CAS
19915-11-8、29365-79-5- PubChem CID
- 140631
- DTXSID
DTXSID10941793
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
- 9
- Formal charge
- 0
- Complexity
- 140
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
8 records
Compound notes
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