Basic information
- Standard SMILES
CCC(O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C- InChIKey
PDPKVRJSUFSWIF-LSLKUGRBSA-N- Molecular formula
- C16H31NO3
- Average molar mass
- 285.42 g/mol
- Monoisotopic mass
- 285.23039385
Names & identifiers
- Preferred name
- (S)-tert-butyl 1-cyclohexyl-3-hydroxypentan-2-ylcarbamate
- IUPAC
- tert-butyl N-[(2S)-1-cyclohexyl-3-hydroxypentan-2-yl]carbamate
Names & synonyms
SCHEMBL3606578PDPKVRJSUFSWIF-LSLKUGRBSA-N(S)-tert-butyl 1-cyclohexyl-3-hydroxypentan-2-ylcarbamate
Database identifiers
- PubChem CID
- 59201568
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 293
Related reactions
2 records
Compound notes
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