Basic information
- CAS
121067-52-5- Standard SMILES
Cc1ccc([C@@]2(C)CC[C@H](C(C)(C)O)OO2)cc1- InChIKey
FCQCSKGBKUYFSW-UKRRQHHQSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Names & identifiers
- Preferred name
- 2-[(3R,6R)-6-Methyl-6-(4-methylphenyl)-1,2-dioxan-3-YL]propan-2-OL
- IUPAC
- 2-[(3R,6R)-6-methyl-6-(4-methylphenyl)dioxan-3-yl]propan-2-ol
Names & synonyms
2-[(3R,6R)-6-METHYL-6-(4-METHYLPHENYL)-1,2-DIOXAN-3-YL]PROPAN-2-OL
Database identifiers
- CAS
121067-52-5- PubChem CID
- 129356
- DTXSID
DTXSID70153138- Nikkaji
- J654.700A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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