Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)(C)CO- InChIKey
KTBHONVTVKZDMJ-UHFFFAOYSA-N- Molecular formula
- C33H66O3
- Average molar mass
- 510.9 g/mol
Names & identifiers
- Preferred name
- Neopentyl glycol monomontanate
- IUPAC
- (3-hydroxy-2,2-dimethylpropyl) octacosanoate
Names & synonyms
Neopentyl glycol monomontanateKTBHONVTVKZDMJ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 85568373
Properties
Computed structural properties
- XLogP
- 14.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 30
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 446
Related reactions
1 records
Compound notes
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