Octyl (octyloxy)acetate
Basic information
- CAS
59417-75-3- Standard SMILES
CCCCCCCCOCC(=O)OCCCCCCCC- InChIKey
MQEVGOURUMNEHP-UHFFFAOYSA-N- Molecular formula
- C18H36O3
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 300.26644501
Names & identifiers
- Preferred name
- Octyl (octyloxy)acetate
- IUPAC
- octyl 2-octoxyacetate
Names & synonyms
59417-75-3Octyl (octyloxy)acetateNSC68501DTXSID20974830NSC-68501
Database identifiers
- CAS
59417-75-3- PubChem CID
- 249803
- DTXSID
DTXSID20974830
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 217
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Related reactions
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Compound notes
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