Basic information
- CAS
27865-89-0- Standard SMILES
CC1(C)C=CC(C)(C)N1CC(O)COCC12CC3CC(CC(C3)C1)C2- InChIKey
ACPNQJCCWVHJQP-UHFFFAOYSA-N- Molecular formula
- C22H37NO2
- Average molar mass
- 347.5 g/mol
- Monoisotopic mass
- 347.28242942
Names & identifiers
- Preferred name
- 2-Propanol, 1-(1-adamantylmethoxy)-3-(2,2,5,5-tetramethyl-3-pyrrolin-1-yl)-
- IUPAC
- 1-(1-adamantylmethoxy)-3-(2,2,5,5-tetramethylpyrrol-1-yl)propan-2-ol
- English name
- 1-(Tricyclo[3.3.1.13,7]decan-1-ylmethoxy)-3-(2,2,5,5-tetramethyl-3-pyrrolin-1-yl)-2-propanol
- Molecular formula
- C22H37NO2
- Molecular weight
- 347.53
Names & synonyms
27865-89-01-(1-Adamantylmethoxy)-3-(2,2,5,5-tetramethyl-3-pyrrolin-1-yl)-2-propanol2-Propanol, 1-(1-adamantylmethoxy)-3-(2,2,5,5-tetramethyl-3-pyrrolin-1-yl)-3-Pyrroline-1-ethanol, alpha-((1-adamantylmethoxy)methyl)-2,2,5,5-tetrameethyl-RefChem:265681DTXSID209505381-[(ADAMANTAN-1-YL)METHOXY]-3-(2,2,5,5-TETRAMETHYL-2,5-DIHYDRO-1H-PYRROL-1-YL)PROPAN-2-OL1-(Tricyclo[3.3.1.13,7]decan-1-ylmethoxy)-3-(2,2,5,5-tetramethyl-3-pyrrolin-1-yl)-2-propanol1H-Pyrrole-1-ethanol, 2,5-dihydro-2,2,5,5-tetramethyl-α-[(tricyclo[3.3.1.13,7]dec-1-ylmethoxy)methyl]-
Database identifiers
- CAS
27865-89-0- PubChem CID
- 64253
- DTXSID
DTXSID20950538- Nikkaji
- J50.944B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…