Basic information
- CAS
87077-94-9- Standard SMILES
CC(C)(O)CCCCOc1ccccc1- InChIKey
ZQELRMZGSNPLFY-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- 2-Methyl-6-phenoxyhexan-2-ol
- IUPAC
- 2-methyl-6-phenoxyhexan-2-ol
Names & synonyms
87077-94-92-methyl-6-phenoxyhexan-2-olNSC99245NCIOpen2_006471DTXSID901007317NSC-99245
Database identifiers
- CAS
87077-94-9- PubChem CID
- 264245
- DTXSID
DTXSID901007317
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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