2,2,4-Trimethyl-5-pyrrolidin-1-yl-3-oxabicyclo[2.2.2]octan-6-ol
Basic information
- CAS
76735-19-8- Standard SMILES
CC1(C)OC2(C)CCC1C(O)C2N1CCCC1- InChIKey
QKGZDMXHXCXTMP-UHFFFAOYSA-N- Molecular formula
- C14H25NO2
- Average molar mass
- 239.35 g/mol
- Monoisotopic mass
- 239.18852904
Names & identifiers
- Preferred name
- 2,2,4-Trimethyl-5-pyrrolidin-1-yl-3-oxabicyclo[2.2.2]octan-6-ol
- IUPAC
- 1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol
Names & synonyms
NSC34136276735-19-81,3,3-Trimethyl-6-(1-pyrrolidinyl)-2-oxabicyclo(2.2.2)octan-5-ol1,3,3-Trimethyl-6-(1-pyrrolidinyl)-2-oxabicyclo[2.2.2]octan-5-olNSC 3413622,2,4-trimethyl-5-pyrrolidin-1-yl-3-oxabicyclo[2.2.2]octan-6-ol2-Oxabicyclo(2.2.2)octan-5-ol, 6-(1-yrrolidinyl)-1,3,3-trimethyl-DS-0135192-Oxabicyclo[2.2.2]octan-5-ol,1,3,3-trimethyl-6-(1-pyrrolidinyl)-, (1a,4a,5b,6b)-(9ci)
Database identifiers
- CAS
76735-19-8- PubChem CID
- 494253
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
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Compound notes
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