Basic information
- CAS
185463-38-1- Standard SMILES
C#CC[C@@H](CCCCCC)C(=O)O- InChIKey
DUQSBRQHALCSLC-JTQLQIEISA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067982
Names & identifiers
- Preferred name
- Octanoic acid, 2-(2-propynyl)-, (2R)-
- IUPAC
- (2R)-2-prop-2-ynyloctanoic acid
Names & synonyms
Octanoic acid, 2-(2-propynyl)-, (2R)-185463-38-1SCHEMBL3864872(2r)-(2-propynyl)octanoic acidDTXSID00435974(2R)-2-(Prop-2-yn-1-yl)octanoic acid
Database identifiers
- CAS
185463-38-1- PubChem CID
- 10130241
- DTXSID
DTXSID00435974
Properties
Computed structural properties
- XLogP
- 3.4
- 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
- 188
Related reactions
1 records
Compound notes
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