Basic information
- CAS
40580-61-8- Standard SMILES
Cc1cc(C)c(C2=C(OC(=O)OC(C)C)c3ccccc3C2=O)c(C)c1- InChIKey
ZJFVYFWOHMZGMZ-UHFFFAOYSA-N- Molecular formula
- C22H22O4
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.15180918
Names & identifiers
- Preferred name
- Carbonic acid, 1-methylethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester
- IUPAC
- [3-oxo-2-(2,4,6-trimethylphenyl)inden-1-yl] propan-2-yl carbonate
Names & synonyms
BRN 230393240580-61-8Carbonic acid, 1-methylethyl-, 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl ester1-Methylethylcarbonic acid 1-oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl esterDTXSID60193588RefChem:333341DTXCID00116079AM-814/41091002isopropyl 2-mesityl-1-oxo-1H-inden-3-yl carbonate1-Oxo-2-(2,4,6-trimethylphenyl)-1H-inden-3-yl propan-2-yl carbonate
Database identifiers
- CAS
40580-61-8- PubChem CID
- 38522
- DTXSID
DTXSID60193588
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 579
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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