7-(1,1-Dimethylethyl)-1,1-bis(methoxymethyl)-2-methyl-1H-indene
Basic information
- CAS
182121-28-4- Standard SMILES
COCC1(COC)C(C)=Cc2cccc(C(C)(C)C)c21- InChIKey
OQYGKBOREGNKLC-UHFFFAOYSA-N- Molecular formula
- C18H26O2
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.19328007
Names & identifiers
- Preferred name
- 7-(1,1-Dimethylethyl)-1,1-bis(methoxymethyl)-2-methyl-1H-indene
- IUPAC
- 7-tert-butyl-1,1-bis(methoxymethyl)-2-methylindene
Names & synonyms
SCHEMBL813743SCHEMBL29481511DTXSID7011742257-(1,1-Dimethylethyl)-1,1-bis(methoxymethyl)-2-methyl-1H-indene182121-28-47-tert-Butyl-1,1-bis(methoxymethyl)-2-methyl-1H-indene
Database identifiers
- CAS
182121-28-4- PubChem CID
- 22140481
- DTXSID
DTXSID701174225
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 358
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Compound notes
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