Basic information
- CAS
17677-87-1- Standard SMILES
CC1CCC2(OC2(C)C)C(=O)C1- InChIKey
OFUGTKAUAMKFPM-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 2,2,6-Trimethyl-1-oxaspiro[2.5]octan-4-one
- IUPAC
- 2,2,6-trimethyl-1-oxaspiro[2.5]octan-4-one
- English name
- 2,2,6-trimethyl-1-oxaspiro[2.5]octan-8-one
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
17677-87-12,2,6-Trimethyl-1-oxaspiro[2.5]octan-4-oneNSC316069(R)-Pulegone OxideNSC 3160692,2,6-Trimethyl-1-oxaspiro(2.5)octan-4-onep-Menthan-3-one, 4,8-epoxy-, trans-1-Oxaspiro[2.5]octan-4-one, 2,2,6-trimethyl-, cis-trans-Pulegone OxidePulegonepoxid2,2,6-TRIMETHYL-1-OXASPIRO[2.5]OCTAN-8-ONE1,1,6-trimethyl-2-oxaspiro[2.5]octan-8-one
Show more names
1-Oxaspiro[2.5]octan-4-one, 2,2,6-trimethyl-
SCHEMBL9445749DTXSID20938851OFUGTKAUAMKFPM-UHFFFAOYSA-NNSC-3160692,2,6-Trimethyl-1-oxaspiro[2.5]octan-4-one, cis1-Oxaspiro[2.5]octan-4-one, 2,2,6-trimethyl-, (3R,6R)-rel-
Database identifiers
- CAS
17677-87-1- PubChem CID
- 330109
- DTXSID
DTXSID20938851- Nikkaji
- J1.316.495I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 40 °C · 40 °C
- Boiling point
- 125 · 125-127 °C
- Density
- 1.008 g/cm3 · 1.008 g/cm3
- LogP
- 1.278 · 1.278 (est)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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