2-(2-Butoxyethoxy)ethyl 3-methylbenzoate
Basic information
- CAS
42024-44-2- Standard SMILES
CCCCOCCOCCOC(=O)c1cccc(C)c1- InChIKey
DDIFSRRKCRAYFU-UHFFFAOYSA-N- Molecular formula
- C16H24O4
- Average molar mass
- 280.36 g/mol
- Monoisotopic mass
- 280.16745924
Names & identifiers
- Preferred name
- 2-(2-Butoxyethoxy)ethyl 3-methylbenzoate
- IUPAC
- 2-(2-butoxyethoxy)ethyl 3-methylbenzoate
Names & synonyms
NSC1793242024-44-22-(2-butoxyethoxy)ethyl 3-methylbenzoateDTXSID70280690NSC-17932
Database identifiers
- CAS
42024-44-2- PubChem CID
- 226945
- DTXSID
DTXSID70280690
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 255
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Compound notes
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