Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCOCC(CO)OCC(=O)O- InChIKey
AAQGNONTPAGEJW-UHFFFAOYSA-N- Molecular formula
- C21H42O5
- Average molar mass
- 374.6 g/mol
- Monoisotopic mass
- 374.30322444
Names & identifiers
- Preferred name
- [2-(Hexadecyloxy)-1-(hydroxymethyl)ethoxy]acetic acid
- IUPAC
- 2-(1-hexadecoxy-3-hydroxypropan-2-yl)oxyacetic acid
Names & synonyms
SCHEMBL9162390AAQGNONTPAGEJW-UHFFFAOYSA-N[2-(Hexadecyloxy)-1-(hydroxymethyl)ethoxy]acetic acid[2- (Hexadecyloxy)-1- (hydroxymethyl)ethoxy]acetic acid
Database identifiers
- PubChem CID
- 19939581
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 21
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 296
Related reactions
3 records
Compound notes
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