Basic information
- CAS
1673-08-1- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC1CCCCC1- InChIKey
BMZOQYYROAVSAP-UHFFFAOYSA-N- Molecular formula
- C22H42O2
- Average molar mass
- 338.6 g/mol
- Monoisotopic mass
- 338.31848058
Names & identifiers
- Preferred name
- Cyclohexyl Palmitate
- IUPAC
- cyclohexyl hexadecanoate
- English name
- cyclohexyl palmitate
- Molecular formula
- C22H42O2
- Molecular weight
- 338.57
Names & synonyms
Cyclohexyl palmitate1673-08-1Hexadecanoic acid, cyclohexyl esterUNII-1VON4TX49E1VON4TX49EHexadecanoic acid cyclohexyl esterEINECS 216-810-4PALMITIC ACID, CYCLOHEXYL ESTERRefChem:129692216-810-4BMZOQYYROAVSAP-UHFFFAOYSA-Ncyclohexyl hexadecanoate
Show more names
Palmitic acid cyclohexyl ester
CHEMBL139056Cyclohexyl palmitate #SCHEMBL3653509DTXSID40937306BDBM50171291NS00045378Q27252955
Database identifiers
- CAS
1673-08-1- PubChem CID
- 74288
- DTXSID
DTXSID40937306- ChEMBL
CHEMBL139056- UNII
- 1VON4TX49E
- EC Number
- 216-810-4
- Nikkaji
- J195.315J
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- LogP
- 9.68 · 9.680 (est)
- FDA UNII
- 1 VON4TX49E · 1VON4TX49E
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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