(2-Hexylcyclopropyl)acetic acid
Basic information
- CAS
35936-15-3- Standard SMILES
CCCCCC[C@@H]1C[C@H]1CC(=O)O- InChIKey
DSMAUFFXECFFMC-ZJUUUORDSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- (2-Hexylcyclopropyl)acetic acid
- IUPAC
- 2-[(1S,2R)-2-hexylcyclopropyl]acetic acid
Names & synonyms
Cascarillic acidCyclopropaneacetic acid, 2-hexyl-, trans-T3WVU94YXP87679-85-4D6JJ5NAD77Cascarillic acid, (+/-)-(2-Hexylcyclopropyl)acetic acid2-Hexylcyclopropaneacetic acid, trans-(1S,2R)-2-Hexylcyclopropaneacetic acid2-Hexylcyclopropaneacetic acid, (1S,2R)-((1S,2R)-2-Hexylcycloprop-1-yl)acetic acidCyclopropaneacetic acid, 2-hexyl-, (1S,2R)-
Show more names
Cyclopropaneacetic acid, 2-hexyl-, (1R,2S)-rel-35936-15-3UNII-T3WVU94YXPUNII-D6JJ5NAD77SCHEMBL25118457DTXSID70458675LMFA01140032[(1S,2R)-2-Hexylcyclopropyl]acetic acid
Database identifiers
- CAS
35936-15-3、87679-85-4- PubChem CID
- 11206201
- DTXSID
DTXSID70458675- UNII
- D6JJ5NAD77、T3WVU94YXP
- Nikkaji
- J2.100.931H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Carbocyclic fatty acids [FA0114]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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