1-(1,3-Benzodioxol-5-yl)-2,2-dimethylpropan-1-ol
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Basic information
- CAS
6412-96-0- Standard SMILES
CC(C)(C)C(O)c1ccc2c(c1)OCO2- InChIKey
DWYCBTALKRDQJX-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 1-(1,3-Benzodioxol-5-yl)-2,2-dimethylpropan-1-ol
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropan-1-ol
Names & synonyms
6412-96-01-(benzo[d][1,3]dioxol-5-yl)-2,2-dimethylpropan-1-ol1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropan-1-olNSC405376DTXSID80323986MFCD21328328AKOS015285201NSC-405376H859421-(2H-1,3-BENZODIOXOL-5-YL)-2,2-DIMETHYLPROPAN-1-OL
Database identifiers
- CAS
6412-96-0- PubChem CID
- 346971
- DTXSID
DTXSID80323986
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
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