2-Propanol, 1-((1-methylethyl)amino)-3-((4,7,7-trimethyl-6-oxabicyclo(3.2.1)oct-3-yl)oxy)-
Basic information
- CAS
147993-10-0- Standard SMILES
CC(C)NCC(O)COC1CC2CC(OC2(C)C)C1C- InChIKey
JBOORCDLWUKIRN-UHFFFAOYSA-N- Molecular formula
- C16H31NO3
- Average molar mass
- 285.42 g/mol
- Monoisotopic mass
- 285.23039385
Names & identifiers
- Preferred name
- 2-Propanol, 1-((1-methylethyl)amino)-3-((4,7,7-trimethyl-6-oxabicyclo(3.2.1)oct-3-yl)oxy)-
- IUPAC
- 1-(propan-2-ylamino)-3-[(4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-3-yl)oxy]propan-2-ol
Names & synonyms
1-((1-Methylethyl)amino)-3-((4,7,7-trimethyl-6-oxabicyclo(3.2.1)oct-3-yl)oxy)-2-propanol147993-10-02-Propanol, 1-((1-methylethyl)amino)-3-((4,7,7-trimethyl-6-oxabicyclo(3.2.1)oct-3-yl)oxy)-RefChem:265595DTXSID509332731-[(Propan-2-yl)amino]-3-[(4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-3-yl)oxy]propan-2-ol
Database identifiers
- CAS
147993-10-0- PubChem CID
- 3073288
- DTXSID
DTXSID50933273
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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