Basic information
- CAS
27166-04-7- Standard SMILES
CCCCCCC#C[C@H]1CCCC1OCCCCCC(=O)O- InChIKey
LMIVPBDTHGWOLX-ZENAZSQFSA-N- Molecular formula
- C19H32O3
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.23514488
Names & identifiers
- Preferred name
- (1S-trans)-6-((2-(1-Octynyl)cyclopentyl)oxy)hexanoic acid
- IUPAC
- 6-[(2R)-2-oct-1-ynylcyclopentyl]oxyhexanoic acid
Names & synonyms
27166-04-7(1S-trans)-6-((2-(1-Octynyl)cyclopentyl)oxy)hexanoic acidHEXANOIC ACID, 6-((2-(1-OCTYNYL)CYCLOPENTYL)OXY)-, (1S-trans)-
Database identifiers
- CAS
27166-04-7- PubChem CID
- 33731
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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