p-Cymene-3-carboxylic acid, 2-hydroxy-, bimol. cyclic ester
Basic information
- CAS
2021-14-9- Standard SMILES
Cc1ccc(C(C)C)c2c1OC(=O)c1c(C(C)C)ccc(C)c1OC2=O- InChIKey
XIFWIJMTFLIRMZ-UHFFFAOYSA-N- Molecular formula
- C22H24O4
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.16745924
Names & identifiers
- Preferred name
- p-Cymene-3-carboxylic acid, 2-hydroxy-, bimol. cyclic ester
- IUPAC
- 4,10-dimethyl-1,7-di(propan-2-yl)benzo[c][1,5]benzodioxocine-6,12-dione
Names & synonyms
DicarvacrotideDi-o-carvacrotideBRN 03276722021-14-9DTXSID001740585-19-05-00260 (Beilstein Handbook Reference)1,7-Bis(1-methylethyl)-4,10-dimethyl-6H-12H-dibenzo(b,f)dioxocin-6,12-dionep-Cymene-3-carboxylic acid, 2-hydroxy-, bimol. cyclic esterp-Cymene-3-carboxylic acid, 2-hydroxy-, bimol. cyclic ester (7CI)6H,12H-Dibenzo(b,f)(1,5)dioxocin-6,12-dione, 1,7-diisopropyl-4,10-dimethyl-6H,12H-Dibenzo(b,f)dioxocin-6,12-dione, 1,7-bis(1-methylethyl)-4,10-dimethyl-RefChem:367670
Show more names
DTXCID70965496H,12H-Dibenzo(b,f)(1,5)dioxocin-6,12-dione, 1,7-diisopropyl-4,10-dimethyl-(8CI)4,10-Dimethyl-1,7-di(propan-2-yl)-6H,12H-dibenzo[b,f][1,5]dioxocine-6,12-dione
Database identifiers
- CAS
2021-14-9- PubChem CID
- 121302
- DTXSID
DTXSID00174058
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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