Basic information
- CAS
1085-64-9- Standard SMILES
CC1=C2C(=CC(C)(C)C2O)C(O)C(C)(O)C12CC2- InChIKey
MBTBAQPUVNSQEB-UHFFFAOYSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Names & identifiers
- Preferred name
- 2',2',4',6'-Tetramethyl-2',3',6',7'-tetrahydrospiro[cyclopropane-1,5'-indene]-3',6',7'-triol
- IUPAC
- 2,2,5,7-tetramethylspiro[1,4-dihydroindene-6,1'-cyclopropane]-1,4,5-triol
Names & synonyms
1085-64-92',2',4',6'-tetramethyl-2',3',6',7'-tetrahydrospiro[cyclopropane-1,5'-indene]-3',6',7'-triolDTXSID00910756NSC78679NSC-78679
Database identifiers
- CAS
1085-64-9- PubChem CID
- 254355
- DTXSID
DTXSID00910756
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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