Docosyl 2-ethylhexanoate
Basic information
- CAS
97467-67-9- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC- InChIKey
IVVSKQQLKMIDFD-UHFFFAOYSA-N- Molecular formula
- C30H60O2
- Average molar mass
- 452.8 g/mol
- Monoisotopic mass
- 452.45933115
Names & identifiers
- Preferred name
- Docosyl 2-ethylhexanoate
- IUPAC
- docosyl 2-ethylhexanoate
- English name
- docosyl 2-ethylhexanoate
- Molecular formula
- C30H60O2
- Molecular weight
- 452.7962
Names & synonyms
Docosyl 2-ethylhexanoate97467-67-9EINECS 306-915-4DTXSID60913905RefChem:135378DTXCID301342903306-915-4SCHEMBL9187083IVVSKQQLKMIDFD-UHFFFAOYSA-NNS000663672-Ethylhexanoic acid docosyl ester
Database identifiers
- CAS
97467-67-9- PubChem CID
- 3024902
- DTXSID
DTXSID60913905- EC Number
- 306-915-4
- Nikkaji
- J382.862J
Properties
Computed structural properties
- XLogP
- 14
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 27
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 366
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Related reactions
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Compound notes
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