Basic information
- CAS
96168-15-9- Standard SMILES
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC(=O)O1- InChIKey
LGWNRNDWDZHUNP-UHFFFAOYSA-N- Molecular formula
- C21H40O2
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.30283051
Names & identifiers
- Preferred name
- 4,8,12,16-Tetramethylheptadecan-4-olide
- IUPAC
- 5-methyl-5-(4,8,12-trimethyltridecyl)oxolan-2-one
Names & synonyms
4,8,12,16-Tetramethylheptadecan-4-olide96168-15-9DTXSID90340760200272-61-3RefChem:96784DTXCID10291841LGWNRNDWDZHUNP-UHFFFAOYSA-N5-methyl-5-(4,8,12-trimethyltridecyl)oxolan-2-oneSCHEMBL227730175-Methyl-5-(4,8,12-trimethyltridecyl)dihydrofuran-2(3H)-one4,8,12,16-tetramethyl heptadecan-4-olideNS00076608
Show more names
5-Methyl-5-(4,8,12-trimethyltridecyl)dihydro-2(3H)-furanone #
Database identifiers
- CAS
96168-15-9- PubChem CID
- 567149
- DTXSID
DTXSID90340760- Nikkaji
- J2.862.111F
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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