Basic information
- CAS
3420-36-8- Standard SMILES
CCCCCCCC[C@H]1O[C@H]1CCCCCCCCCCCC(=O)O- InChIKey
NSYDMBURIUSUDH-RTWAWAEBSA-N- Molecular formula
- C22H42O3
- Average molar mass
- 354.6 g/mol
- Monoisotopic mass
- 354.3133952
Names & identifiers
- Preferred name
- 12-[(2s,3r)-3-Octyloxiran-2-yl]dodecanoic acid
- IUPAC
- 12-[(2S,3R)-3-octyloxiran-2-yl]dodecanoic acid
Names & synonyms
12-[(2s,3r)-3-octyloxiran-2-yl]dodecanoic acidcis-13,14-Epoxydocosanoic acidPpolypropylene(melt flow rate)3beta-Octyloxirane-2beta-dodecanoic acidSCHEMBL29349491Melt Flow Rate pound PP pound(c)12-(3-Octyl-2-oxiranyl)dodecanoic acid #
Database identifiers
- CAS
3420-36-8- PubChem CID
- 76958
- Nikkaji
- J419.317B
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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