2-Octyldodecyl decanoate
Basic information
- CAS
22766-85-4- Standard SMILES
CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCC- InChIKey
FABRFZGGMAHNCJ-UHFFFAOYSA-N- Molecular formula
- C30H60O2
- Average molar mass
- 452.8 g/mol
- Monoisotopic mass
- 452.45933115
Names & identifiers
- Preferred name
- 2-Octyldodecyl decanoate
- IUPAC
- 2-octyldodecyl decanoate
- English name
- 2-octyldodecyl decanoate
- Molecular formula
- C30H60O2
- Molecular weight
- 452.8
Names & synonyms
2-Octyldodecyl decanoate22766-85-4EINECS 245-207-9DTXSID80945445RefChem:88874DTXCID101373760245-207-9SCHEMBL9933587FABRFZGGMAHNCJ-UHFFFAOYSA-NNS00052054Decanoic acid 2-octyldodecyl ester
Database identifiers
- CAS
22766-85-4- PubChem CID
- 90837
- DTXSID
DTXSID80945445- EC Number
- 245-207-9
- Nikkaji
- J286.302B
Properties
Computed structural properties
- XLogP
- 13.8
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…