Basic information
- CAS
61733-79-7- Standard SMILES
O=C1C=C(O)CC2(CCCCC2)C1- InChIKey
QLXXMQIQECQMEO-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- Mls003171023
- IUPAC
- 2-hydroxyspiro[5.5]undec-2-en-4-one
Names & synonyms
MLS00317102361733-79-7DTXSID20319363RefChem:357340DTXCID80270486NSC344239CHEMBL1875821NSC-3442394-hydroxyspiro[5.5]undec-3-en-2-oneSMR001874933
Database identifiers
- CAS
61733-79-7- PubChem CID
- 335367
- DTXSID
DTXSID20319363- ChEMBL
CHEMBL1875821
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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