Basic information
- CAS
36999-98-1- Standard SMILES
[C-]#[N+]CCCCCCCCCCCC- InChIKey
RZELGCMBQAPXRI-UHFFFAOYSA-N- Molecular formula
- C13H25N
- Average molar mass
- 195.34 g/mol
- Monoisotopic mass
- 195.1986998
Names & identifiers
- Preferred name
- Dodecyl isocyanide
- IUPAC
- 1-isocyanododecane
- English name
- DODECYL ISOCYANIDE
- Molecular formula
- C13H25N
- Molecular weight
- 195.3443
Names & synonyms
Dodecyl isocyanide36999-98-1DTXSID20328415RefChem:339511DTXCID502795221-isocyanododecaneSCHEMBL6033481NSC25786NSC-25786dodecane-1-isonitrile
Database identifiers
- CAS
36999-98-1- PubChem CID
- 410025
- DTXSID
DTXSID20328415- Nikkaji
- J948.000E
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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