1-(4-Butan-2-ylphenoxy)propan-2-yl pentanoate
Basic information
- CAS
5451-93-4- Standard SMILES
CCCCC(=O)OC(C)COc1ccc(C(C)CC)cc1- InChIKey
VIMOQPXPTCZSRB-UHFFFAOYSA-N- Molecular formula
- C18H28O3
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.20384475
Names & identifiers
- Preferred name
- 1-(4-Butan-2-ylphenoxy)propan-2-yl pentanoate
- IUPAC
- 1-(4-butan-2-ylphenoxy)propan-2-yl pentanoate
Names & synonyms
1-(4-butan-2-ylphenoxy)propan-2-yl pentanoate5451-93-41-[4-(butan-2-yl)phenoxy]propan-2-yl pentanoateNSC21879DTXSID70281521NSC-21879
Database identifiers
- CAS
5451-93-4- PubChem CID
- 228758
- DTXSID
DTXSID70281521
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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