Basic information
- Standard SMILES
CCC(N)B1OC(C)(C)C(C)(CCC(C)CC(=O)OC(C)(C)C)O1- InChIKey
FXKIJDXLMGPZEB-UHFFFAOYSA-N- Molecular formula
- C18H36BNO4
- Average molar mass
- 341.3 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 5-[2-(1(rs)-aminopropyl)-4(rs),5,5-trimethyl-1,3,2-dioxaborolan-4-yl]-3(rs)-methylvalerate
- IUPAC
- tert-butyl 5-[2-(1-aminopropyl)-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]-3-methylpentanoate
Names & synonyms
SCHEMBL7430122FXKIJDXLMGPZEB-UHFFFAOYSA-Ntert-butyl 5-[2-(1(RS)-aminopropyl)-4(RS), 5,5-trimethyl-1,3,2-dioxaborolan-4-yl]-3(RS)-methylvaleratetert-butyl 5-[2-(1(rs)-aminopropyl)-4(rs),5,5-trimethyl-1,3,2-dioxaborolan-4-yl]-3(rs)-methylvalerate
Database identifiers
- PubChem CID
- 22619085
- Nikkaji
- J1.357.431F
Properties
Computed structural properties
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 435
Related reactions
4 records
Linked notes
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