rel-(3R,4R)-3,4-Dimethylcyclopentanone
Basic information
- CAS
19550-73-3- Standard SMILES
C[C@@H]1CC(=O)C[C@H]1C- InChIKey
ZMGMYCHEWPVBEL-PHDIDXHHSA-N- Molecular formula
- C7H12O
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.088815
Names & identifiers
- Preferred name
- rel-(3R,4R)-3,4-Dimethylcyclopentanone
- IUPAC
- trans-(3R,4R)-3,4-dimethylcyclopentan-1-one
Names & synonyms
DTXSID40941327rel-(3R,4R)-3,4-DimethylcyclopentanoneRefChem:879150DTXCID101838011rac-(3R,4R)-3,4-dimethylcyclopentan-1-one(3R,4R)-3,4-dimethylcyclopentan-1-one3,4-Dimethylcyclopentanone #SCHEMBL5387697Trans-3,4-dimethyl cyclopentanone(3R,4R)-3,4-dimethylcyclopentanoneAKOS006273839cyclopentanone, 3,4-dimethyl-, (3R,4R)-
Show more names
InChI=1/C7H12O/c1-5-3-7(8)4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s
Database identifiers
- CAS
19550-73-3- PubChem CID
- 643073
- DTXSID
DTXSID40941327- EC Number
- 195-113-6
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 95
Related reactions
4 records
Compound notes
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