1-Methyl-1,2,3,4,-tetrahydronaphthalene-1-hydroperoxide
Basic information
- CAS
99964-59-7- Standard SMILES
CC1(OO)CCCc2ccccc21- InChIKey
BEVOTSGQUDZQKM-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 1-Methyl-1,2,3,4,-tetrahydronaphthalene-1-hydroperoxide
- IUPAC
- 4-hydroperoxy-4-methyl-2,3-dihydro-1H-naphthalene
Names & synonyms
1-Methyl-1,2,3,4,-tetrahydronaphthalene-1-hydroperoxide99964-59-7SCHEMBL8418798DTXSID709123631-Methyl-1,2,3,4-tetrahydronaphthalene-1-peroxol
Database identifiers
- CAS
99964-59-7- PubChem CID
- 145357
- DTXSID
DTXSID70912363
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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