Basic information
- CAS
21197-51-3- Standard SMILES
CC(C)(C)C1CCC2OC(=O)CCC2C1- InChIKey
IPKVISRDFCIXEA-UHFFFAOYSA-N- Molecular formula
- C13H22O2
- Average molar mass
- 210.31 g/mol
- Monoisotopic mass
- 210.16197994
Names & identifiers
- Preferred name
- 6-tert-Butyloctahydrocoumarin
- IUPAC
- 6-tert-butyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
- English name
- 6-tert-butyloctahydrocoumarin
- Molecular formula
- C13H22O2
- Molecular weight
- 210.31
Names & synonyms
21197-51-36-tert-ButyloctahydrocoumarinDTXSID80943527IPKVISRDFCIXEA-UHFFFAOYSA-NEINECS 244-265-2NS000517806-tert-Butyloctahydro-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 6-(1,1-dimethylethyl)octahydro-
Database identifiers
- CAS
21197-51-3- PubChem CID
- 89466
- DTXSID
DTXSID80943527- EC Number
- 244-265-2
- Nikkaji
- J226.162F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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