1,3-Benzodioxole-5-methanol, alpha,alpha-dibutyl-
Basic information
- CAS
122666-14-2- Standard SMILES
CCCCC(O)(CCCC)c1ccc2c(c1)OCO2- InChIKey
DSSCOKPSFWCFSW-UHFFFAOYSA-N- Molecular formula
- C16H24O3
- Average molar mass
- 264.36 g/mol
- Monoisotopic mass
- 264.17254462
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-5-methanol, alpha,alpha-dibutyl-
- IUPAC
- 5-(1,3-benzodioxol-5-yl)nonan-5-ol
Names & synonyms
1,3-Benzodioxole-5-methanol, alpha,alpha-dibutyl-122666-14-25-(1,3-Benzodioxol-5-yl)nonan-5-olSCHEMBL10541336DTXSID901536755-(2H-1,3-BENZODIOXOL-5-YL)NONAN-5-OL
Database identifiers
- CAS
122666-14-2- PubChem CID
- 183576
- DTXSID
DTXSID90153675
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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