Basic information
- Standard SMILES
CC(CCO)CCCC(C)(C)OOC(C)(C)C- InChIKey
AVKNFLQXRFWCLY-UHFFFAOYSA-N- Molecular formula
- C14H30O3
- Average molar mass
- 246.39 g/mol
Names & identifiers
- Preferred name
- 3,7-Dimethyl-7-(t-butylperoxy)octyl alcohol
- IUPAC
- 7-tert-butylperoxy-3,7-dimethyloctan-1-ol
Names & synonyms
SCHEMBL11430010AVKNFLQXRFWCLY-UHFFFAOYSA-N3,7-dimethyl-7(t-butylperoxy)octyl alcohol3,7-dimethyl-7-(t-butylperoxy)octyl alcohol
Database identifiers
- PubChem CID
- 53664183
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 194
Related reactions
5 records
Compound notes
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