1-Isocyanatodocosane
Basic information
- CAS
93662-72-7- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCN=C=O- InChIKey
ODDFKRTWSQGENK-UHFFFAOYSA-N- Molecular formula
- C23H45NO
- Average molar mass
- 351.6 g/mol
- Monoisotopic mass
- 351.35011506
Names & identifiers
- Preferred name
- 1-Isocyanatodocosane
- IUPAC
- 1-isocyanatodocosane
Names & synonyms
1-ISOCYANATODOCOSANE93662-72-7DTXSID80625876RefChem:231143DTXCID50576629n-docosyl isocyanateSCHEMBL5571372
Database identifiers
- CAS
93662-72-7- PubChem CID
- 22472289
- DTXSID
DTXSID80625876
Properties
Computed structural properties
- XLogP
- 12
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 21
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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