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65447-77-0 molecular structure
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2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate

ChemBase ID: 286780
Molecular Formular: C17H31NO4
Molecular Mass: 313.43234
Monoisotopic Mass: 313.22530848
SMILES and InChIs

SMILES:
CC1(C)N(CCOC(=O)CCC(=O)C)C(C)(C)CC(OC)C1
Canonical SMILES:
COC1CC(C)(C)N(C(C1)(C)C)CCOC(=O)CCC(=O)C
InChI:
InChI=1S/C17H31NO4/c1-13(19)7-8-15(20)22-10-9-18-16(2,3)11-14(21-6)12-17(18,4)5/h14H,7-12H2,1-6H3
InChIKey:
CTJXKCPBMVLOQI-UHFFFAOYSA-N

Cite this record

CBID:286780 http://www.chembase.cn/molecule-286780.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate
IUPAC Traditional name
2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate
Synonyms
Poly(4-hydroxy-2,2,6,6-tetramethyl-1-piperidineethanol-alt-1,4-butanedioic acid)
CAS Number
65447-77-0
MDL Number
MFCD02688598
PubChem SID
180672311
PubChem CID
22946613

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD22041 Please log in.
Data Source Data ID
PubChem 22946613 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.537916  H Acceptors
H Donor LogD (pH = 5.5) -1.4669654 
LogD (pH = 7.4) 0.2743205  Log P 1.4511706 
Molar Refractivity 86.4658 cm3 Polarizability 34.376087 Å3
Polar Surface Area 55.84 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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