Basic information
- CAS
117968-69-1- Standard SMILES
CCCCCCCCCCCc1noc2c1C(=O)C(O)CC2- InChIKey
HETUFXIBHGGXFY-UHFFFAOYSA-N- Molecular formula
- C18H29NO3
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.21474379
Names & identifiers
- Preferred name
- 6,7-Dihydro-5-hydroxy-3-undecyl-1,2-benzisoxazol-4(5H)-one
- IUPAC
- 5-hydroxy-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-one
Names & synonyms
117968-69-16,7-Dihydro-5-hydroxy-3-undecyl-1,2-benzisoxazol-4(5H)-oneRefChem:306150NSC6226355-Hydroxy-3-undecyl-6,7-dihydro-1,2-benzisoxazol-4(5H)-oneCHEMBL19997305-hydroxy-3-undecyl-6,7-dihydro-5H-1,2-benzoxazol-4-oneHETUFXIBHGGXFY-UHFFFAOYSA-NDTXSID301191245NSC-622635NCI60_006676Benz[d]isoxazole-4-one, 4,5,6,7-tetrahydro-3-undecyl-
Show more names
5-Hydroxy-3-undecyl-6,7-dihydro-1,2-benzoxazol-4(5H)-one5-Hydroxy-3-undecyl-6,7-dihydro-1,2-benzisoxazol-4(5H)-one #
Database identifiers
- CAS
117968-69-1- PubChem CID
- 360501
- DTXSID
DTXSID301191245- ChEMBL
CHEMBL1999730
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…