Pentyl 4-propan-2-ylbenzoate
Basic information
- CAS
6955-07-3- Standard SMILES
CCCCCOC(=O)c1ccc(C(C)C)cc1- InChIKey
LHPAFLZJGLAMFD-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- Pentyl 4-propan-2-ylbenzoate
- IUPAC
- pentyl 4-propan-2-ylbenzoate
Names & synonyms
6955-07-3pentyl 4-propan-2-ylbenzoatepentyl 4-(propan-2-yl)benzoateNSC20067DTXSID00281094NSC-20067
Database identifiers
- CAS
6955-07-3- PubChem CID
- 227903
- DTXSID
DTXSID00281094- Nikkaji
- J2.100.815J
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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