Basic information
- Standard SMILES
CCCCCCC#Cc1cccc(OCCCC(C(=O)OCC)C(=O)OCC)c1- InChIKey
FPIZLRZPNATCQN-UHFFFAOYSA-N- Molecular formula
- C24H34O5
- Average molar mass
- 402.5 g/mol
Names & identifiers
- Preferred name
- Diethyl 2-{3-[3-(1-Octynyl)phenoxy]propyl}propan-1,3-dioate
- IUPAC
- diethyl 2-[3-(3-oct-1-ynylphenoxy)propyl]propanedioate
Names & synonyms
SCHEMBL10750507FPIZLRZPNATCQN-UHFFFAOYSA-NDiethyl 2-{3-[3-(1-Octynyl)phenoxy]propyl}propan-1,3-dioate
Database identifiers
- PubChem CID
- 20165396
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 512
Related reactions
2 records
Compound notes
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