Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
Basic information
- CAS
72076-45-0- Standard SMILES
CCCCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)O- InChIKey
YZYMIFDQSDOKLE-UHFFFAOYSA-N- Molecular formula
- C22H36O3
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.26644501
Names & identifiers
- Preferred name
- Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
- IUPAC
- 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoic acid
Names & synonyms
2-(2,4-Di-tert-pentylphenoxy)hexanoic acidEINECS 276-322-2DTXSID40888041Hexanoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-RefChem:787285DTXCID30102732372076-45-02-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoic acidSCHEMBL8930354SCHEMBL12646434YZYMIFDQSDOKLE-UHFFFAOYSA-N
Show more names
NS001271062-(2,4-Bis(tert-pentylphenoxy))hexanoic acid
Database identifiers
- CAS
72076-45-0- PubChem CID
- 174891
- DTXSID
DTXSID40888041- EC Number
- 276-322-2
- Nikkaji
- J179.182F
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 413
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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