2H-1,4-Benzoxazin-3(4H)-one, 4-hexyl-2-methyl-7-(1-oxobutyl)-
Basic information
- CAS
135420-29-0- Standard SMILES
CCCCCCN1C(=O)C(C)Oc2cc(C(=O)CCC)ccc21- InChIKey
HPKQBTYUUOVNPX-UHFFFAOYSA-N- Molecular formula
- C19H27NO3
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.19909372
Names & identifiers
- Preferred name
- 2H-1,4-Benzoxazin-3(4H)-one, 4-hexyl-2-methyl-7-(1-oxobutyl)-
- IUPAC
- 7-butanoyl-4-hexyl-2-methyl-1,4-benzoxazin-3-one
Names & synonyms
135420-29-02H-1,4-Benzoxazin-3(4H)-one, 4-hexyl-2-methyl-7-(1-oxobutyl)-RefChem:1065113BRN 43291574-Hexyl-2-methyl-7-(1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-oneDTXSID409289917-Butanoyl-4-hexyl-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Database identifiers
- CAS
135420-29-0- PubChem CID
- 3077705
- DTXSID
DTXSID40928991- Nikkaji
- J372.150G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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