Propan-2-yl 4,8,12-trimethyltridecanoate
Basic information
- CAS
101409-99-8- Standard SMILES
CC(C)CCCC(C)CCCC(C)CCC(=O)OC(C)C- InChIKey
FSSVDPOQVYBAGW-UHFFFAOYSA-N- Molecular formula
- C19H38O2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.28718045
Names & identifiers
- Preferred name
- Propan-2-yl 4,8,12-trimethyltridecanoate
- IUPAC
- propan-2-yl 4,8,12-trimethyltridecanoate
Names & synonyms
Propan-2-yl 4,8,12-trimethyltridecanoate101409-99-8DTXSID10906145
Database identifiers
- CAS
101409-99-8- PubChem CID
- 180977
- DTXSID
DTXSID10906145
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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