Basic information
- CAS
102737-85-9- Standard SMILES
COCCc1ccc(OCC(O)CC(C)(C)C)cc1- InChIKey
XXRLGGDJANHAKY-UHFFFAOYSA-N- Molecular formula
- C16H26O3
- Average molar mass
- 266.38 g/mol
- Monoisotopic mass
- 266.18819469
Names & identifiers
- Preferred name
- 1-[4-(2-Methoxyethyl)phenoxy]-4,4-dimethyl-2-pentanol
- IUPAC
- 1-[4-(2-methoxyethyl)phenoxy]-4,4-dimethylpentan-2-ol
Names & synonyms
DTXSID8012140141-[4-(2-Methoxyethyl)phenoxy]-4,4-dimethyl-2-pentanol1-[4-(2-Methoxyethyl)phenoxy]-4,4-dimethylpentan-2-ol102737-85-9
Database identifiers
- CAS
102737-85-9- PubChem CID
- 85532222
- DTXSID
DTXSID801214014
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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