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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1[C@@H](C[C@H]2CCCCOC2)COC1(C)C- InChIKey
VKSMPOANWGKMQD-KGLIPLIRSA-N- Molecular formula
- C17H31NO4
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.22530847
Names & identifiers
- Preferred name
- (S)-tert-butyl 2,2-dimethyl-4-((R)-oxepan-3-ylmethyl)oxazolidine-3-carboxylate
- IUPAC
- tert-butyl (4S)-2,2-dimethyl-4-[[(3R)-oxepan-3-yl]methyl]-1,3-oxazolidine-3-carboxylate
Names & synonyms
SCHEMBL3615557VKSMPOANWGKMQD-KGLIPLIRSA-N(S)-tert-butyl 2,2-dimethyl-4-((R)-oxepan-3-ylmethyl)oxazolidine-3-carboxylate
Database identifiers
- PubChem CID
- 59201664
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 389
Related reactions
2 records
Compound notes
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