Basic information
- CAS
53206-78-3- Standard SMILES
Cc1ccc(C(C)C)c(OCC(=O)OCCN2CCCCC2)c1C(=O)OC(C)C- InChIKey
MKXWZVYEVYAFOZ-UHFFFAOYSA-N- Molecular formula
- C23H35NO5
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.25152322
Names & identifiers
- Preferred name
- Acetic acid, (2-isopropoxycarbonyl-6-isopropyl-3-methylphenoxy)-, 2-piperidinoethyl ester
- IUPAC
- propan-2-yl 6-methyl-2-[2-oxo-2-(2-piperidin-1-ylethoxy)ethoxy]-3-propan-2-ylbenzoate
- English name
- (2-Isopropoxycarbonyl-6-isopropyl-3-methylphenoxy)acetic acid 2-piperidinoethyl ester
- Molecular formula
- C23H35NO5
- Molecular weight
- 405.53
Names & synonyms
53206-78-3BRN 1269020Acetic acid, (2-isopropoxycarbonyl-6-isopropyl-3-methylphenoxy)-, 2-piperidinoethyl esterDTXSID00201272p-Cymene-2-carboxylic acid, 3-(2-(piperidino)ethoxycarbonylmethoxy)-, isopropyl esterRefChem:316166DTXCID00123763(2-Isopropoxycarbonyl-6-isopropyl-3-methylphenoxy)acetic acid 2-piperidinoethyl esterpropan-2-yl 6-methyl-2-{2-oxo-2-[2-(piperidin-1-yl)ethoxy]ethoxy}-3-(propan-2-yl)benzoateDB-289737Benzoic acid, 6-methyl-3-(1-methylethyl)-2-[2-oxo-2-[2-(1-piperidinyl)ethoxy]ethoxy]-, 1-methylethyl ester
Database identifiers
- CAS
53206-78-3- PubChem CID
- 40645
- DTXSID
DTXSID00201272- Nikkaji
- J86.221E
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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