1,3-Indandione, 2-(3,5-di-tert-butylphenyl)-
Basic information
- CAS
13936-01-1- Standard SMILES
CC(C)(C)c1cc(C2C(=O)c3ccccc3C2=O)cc(C(C)(C)C)c1- InChIKey
ITVMYFGQCMFWIN-UHFFFAOYSA-N- Molecular formula
- C23H26O2
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.19328007
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)-
- IUPAC
- 2-(3,5-ditert-butylphenyl)indene-1,3-dione
- English name
- 1,3-Indandione, 2-(3,5-di-tert-butylphenyl)-
- Molecular formula
- C23H26O2
- Molecular weight
- 334.45
Names & synonyms
13936-01-11,3-Indandione, 2-(3,5-di-tert-butylphenyl)-BS 8983DBRN 22951681H-Indene-1,3(2H)-dione, 2-(3,5-bis(1,1-dimethylethyl)phenyl)-RefChem:2192781H-Indene-1,3(2H)-dione, 2-(3,5-bis(1,1-dimethylethyl)phenyl)-(9CI)2-(3,5-di-tert-butylphenyl)-1h-indene-1,3(2h)-dioneCHEMBL2772032-(3,5-ditert-butylphenyl)indene-1,3-dioneDTXSID50878630BDBM50280164
Show more names
1H-Indene-1,3(2H)-dione, 2-[3,5-bis(1,1-dimethylethyl)phenyl]-
MFCD01719880SY3502492-(3,5-Di-tert-butyl-phenyl)-indan-1,3-dione1H-INDENE-1,3(2H)-DIONE, 2-[3,5-BIS(1,1-DIMETHYL
Database identifiers
- CAS
13936-01-1- PubChem CID
- 84108
- DTXSID
DTXSID50878630- ChEMBL
CHEMBL277203- Nikkaji
- J1.575.258K
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 487
Experimental & physicochemical properties
LogP6.86
Physicochemical properties
- Boiling point
- 431.8 · 431.8±45.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- pka
- 7.76 · 7.76±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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