Basic information
- CAS
52073-11-7- Standard SMILES
COC(=O)c1c(C)ccc(C(C)C)c1OCC(=O)OCCN1CCCCC1- InChIKey
ZOXROYAHTWXWDS-UHFFFAOYSA-N- Molecular formula
- C21H31NO5
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 377.22022309
Names & identifiers
- Preferred name
- Acetic acid, (6-isopropyl-2-methoxycarbonyl-3-methylphenoxy)-, 2-piperidinoethyl ester
- IUPAC
- methyl 6-methyl-2-[2-oxo-2-(2-piperidin-1-ylethoxy)ethoxy]-3-propan-2-ylbenzoate
Names & synonyms
BRN 1268591Acetic acid, (6-isopropyl-2-methoxycarbonyl-3-methylphenoxy)-, 2-piperidinoethyl ester52073-11-7DTXSID30200056p-Cymene-2-carboxylic acid, 3-(2-(piperidino)ethoxycarbonylmethoxy)-, methyl esterRefChem:316286DTXCID30122547methyl 6-methyl-2-{2-oxo-2-[2-(piperidin-1-yl)ethoxy]ethoxy}-3-(propan-2-yl)benzoate
Database identifiers
- CAS
52073-11-7- PubChem CID
- 40207
- DTXSID
DTXSID30200056- Nikkaji
- J86.229K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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