Basic information
- Standard SMILES
CC1(C)COC(c2ccc(C3CCC4(CC3)OCCO4)cc2)=N1- InChIKey
INLSIBSODXSTEJ-UHFFFAOYSA-N- Molecular formula
- C19H25NO3
- Average molar mass
- 315.4 g/mol
Names & identifiers
- Preferred name
- 2-[4-(1,4-Dioxaspiro[4,5]dec-8-yl)phenyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
- IUPAC
- 2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
Names & synonyms
SCHEMBL3295545INLSIBSODXSTEJ-UHFFFAOYSA-N2-[4-(1,4-Dioxaspiro[4,5]dec-8-yl)phenyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
Database identifiers
- PubChem CID
- 59836699
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 449
Related reactions
3 records
Compound notes
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