9-(Propan-2-yloxy)octadecanoic acid
Basic information
- CAS
35504-25-7- Standard SMILES
CCCCCCCCCC(CCCCCCCC(=O)O)OC(C)C- InChIKey
PXGFSFTWBGIYOM-UHFFFAOYSA-N- Molecular formula
- C21H42O3
- Average molar mass
- 342.6 g/mol
- Monoisotopic mass
- 342.3133952
Names & identifiers
- Preferred name
- 9-(Propan-2-yloxy)octadecanoic acid
- IUPAC
- 9-propan-2-yloxyoctadecanoic acid
Names & synonyms
35504-25-79-(propan-2-yloxy)octadecanoic acidNSC83190NCIOpen2_009176SCHEMBL8982754DTXSID50292493NSC-831909-[(Propan-2-yl)oxy]octadecanoic acid
Database identifiers
- CAS
35504-25-7- PubChem CID
- 256374
- DTXSID
DTXSID50292493
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 276
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Compound notes
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