Palmitoyl isocyanate

HCID 18792000
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Basic information

Standard SMILES
CCCCCCCCCCCCCCCC(=O)N=C=O
InChIKey
RLFPEJUNNYTGKS-UHFFFAOYSA-N
Molecular formula
C17H31NO2
Average molar mass
281.4 g/mol
Monoisotopic mass
281.23547923

Names & identifiers

Preferred name
Palmitoyl isocyanate
IUPAC
hexadecanoyl isocyanate

Names & synonyms

palmitoyl isocyanateSCHEMBL6161748RLFPEJUNNYTGKS-UHFFFAOYSA-N

Database identifiers

PubChem CID
18792000

Properties

Computed structural properties

XLogP
8.3
Topological polar surface area
46.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
14
Heavy atoms
20

Related reactions

3 records
New reaction record

Linked notes

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