1-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-, 6-acetate, (2R,5R,6S)-rel-
Basic information
- CAS
57967-74-5- Standard SMILES
CC(=O)O[C@@]1(C)CCCC(C)(C)[C@]12CC[C@@H](C)O2- InChIKey
LTAWGWRPOGXHBD-BYCMXARLSA-N- Molecular formula
- C15H26O3
- Average molar mass
- 254.36 g/mol
- Monoisotopic mass
- 254.18819469
Names & identifiers
- Preferred name
- 1-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-, 6-acetate, (2R,5R,6S)-rel-
- IUPAC
- [(2R,5R,6S)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl] acetate
Names & synonyms
57967-74-5EINECS 261-050-91-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-, acetate, (2R,5R,6S)-rel-1-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-, 6-acetate, (2R,5R,6S)-rel-(2alpha,5beta(S*))-2,6,10,10-Tetramethyl-1-oxaspiro(4.5)decan-6-ylacetate1-Oxaspiro[4.5]decan-6-ol, 2,6,10,10-tetramethyl-, 6-acetate, (2R,5R,6S)-rel-RefChem:76813LTAWGWRPOGXHBD-BYCMXARLSA-NDTXSID401340574NS00123298(2R,5R,6S)-rel-1-Oxaspiro[4.5]decan-6-ol, 2,6,10,10-tetramethyl-, 6-acetate
Database identifiers
- CAS
57967-74-5- PubChem CID
- 108787
- DTXSID
DTXSID401340574- EC Number
- 261-050-9
- Nikkaji
- J292.480C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1-Oxaspiro[4.5]decan-6-ol, 2,6,10,10-tetramethyl-, acetate,[2.alpha.,5.beta.(S*)]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Oxaspiro[4.5]decan-6-ol, 2,6,10,10-tetramethyl-, 6-acetate, (2R,5R,6S)-rel-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…