2,2',3,3'-tetrahydro-5,5'-diisononyl-3,3,3',3'-tetramethyl-1,1'-spirobi[1H-indene]-6,6'-diol
Basic information
- CAS
73529-70-1- Standard SMILES
CC(C)CCCCCCc1cc2c(cc1O)C1(CC2(C)C)CC(C)(C)c2cc(CCCCCCC(C)C)c(O)cc21- InChIKey
ZZWLQIMILBITLS-UHFFFAOYSA-N- Molecular formula
- C39H60O2
- Average molar mass
- 560.9 g/mol
- Monoisotopic mass
- 560.45933115
Names & identifiers
- Preferred name
- 2,2',3,3'-tetrahydro-5,5'-diisononyl-3,3,3',3'-tetramethyl-1,1'-spirobi[1H-indene]-6,6'-diol
- IUPAC
- 1,1,1',1'-tetramethyl-6,6'-bis(7-methyloctyl)-3,3'-spirobi[2H-indene]-5,5'-diol
- English name
- 2,2',3,3'-tetrahydro-5,5'-diisononyl-3,3,3',3'-tetramethyl-1,1'-spirobi[1H-indene]-6,6'-diol
- Molecular formula
- C39H60O2
- Molecular weight
- 560.8925
Names & synonyms
73529-70-1EINECS 277-529-02,2',3,3'-Tetrahydro-5,5'-diisononyl-3,3,3',3'-tetramethyl-1,1'-spirobi(1H-indene)-6,6'-diol2,2',3,3'-TETRAHYDRO-5,5'-DIISONONYL-3,3,3',3'-TETRAMETHYL-1,1'-SPIROBI[1H-INDENE]-6,6'-DIOLDTXSID20223734RefChem:80566DTXCID50146225277-529-0ZZWLQIMILBITLS-UHFFFAOYSA-NNS000375283,3,3',3'-Tetramethyl-5,5'-bis(7-methyloctyl)-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol
Database identifiers
- CAS
73529-70-1- PubChem CID
- 44147019
- DTXSID
DTXSID20223734- EC Number
- 277-529-0
Properties
Computed structural properties
- XLogP
- 14.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 729
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…