Basic information
- CAS
5936-38-9- Standard SMILES
CC1(C)CC(C(CC#N)Cc2ccccc2)CCO1- InChIKey
XIDXZWBPVXHTDH-UHFFFAOYSA-N- Molecular formula
- C17H23NO
- Average molar mass
- 257.37 g/mol
- Monoisotopic mass
- 257.17796436
Names & identifiers
- Preferred name
- 3-(2,2-Dimethyloxan-4-yl)-4-phenylbutanenitrile
- IUPAC
- 3-(2,2-dimethyloxan-4-yl)-4-phenylbutanenitrile
Names & synonyms
3-(2,2-dimethyloxan-4-yl)-4-phenylbutanenitrile5936-38-93-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenylbutanenitrileOprea1_007923Oprea1_856417SCHEMBL8359976DTXSID70389612SMSF0010121STK805441AKOS000547437CB01028NCGC00336792-01
Show more names
351341-28-1EU-0073911AB01329647-02SR-01000453800SR-01000453800-1
Database identifiers
- CAS
5936-38-9- PubChem CID
- 3129804
- DTXSID
DTXSID70389612
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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