Basic information
- CAS
70913-84-7- Standard SMILES
CCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCC(C)C- InChIKey
GHJJFOYNDRLLFV-UHFFFAOYSA-N- Molecular formula
- C24H48O4
- Average molar mass
- 400.6 g/mol
- Monoisotopic mass
- 400.35526001
Names & identifiers
- Preferred name
- 2,2-Bis(hydroxymethyl)butyl 16-methylheptadecanoate
- IUPAC
- 2,2-bis(hydroxymethyl)butyl 16-methylheptadecanoate
Names & synonyms
2,2-bis(hydroxymethyl)butyl 16-methylheptadecanoateSCHEMBL8417527DTXSID40991201
Database identifiers
- CAS
70913-84-7- PubChem CID
- 110528
- DTXSID
DTXSID40991201
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 21
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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