Home > Compound List > Compound details
301226-27-7 molecular structure
click picture or here to close

tert-butyl 2-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

ChemBase ID: 39794
Molecular Formular: C13H21NO4
Molecular Mass: 255.31014
Monoisotopic Mass: 255.14705816
SMILES and InChIs

SMILES:
C(=O)(N1CCC2(OC(=O)CC2)CC1)OC(C)(C)C
Canonical SMILES:
O=C(N1CCC2(CC1)CCC(=O)O2)OC(C)(C)C
InChI:
InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-8-6-13(7-9-14)5-4-10(15)17-13/h4-9H2,1-3H3
InChIKey:
DXCDANAWBPYOAA-UHFFFAOYSA-N

Cite this record

CBID:39794 http://www.chembase.cn/molecule-39794.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 2-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
IUPAC Traditional name
tert-butyl 2-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
Synonyms
tert-Butyl 2-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CAS Number
301226-27-7
MDL Number
MFCD11100196
PubChem SID
161003101
PubChem CID
18374740

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18374740 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0002713  LogD (pH = 7.4) 1.0002713 
Log P 1.0002713  Molar Refractivity 65.3492 cm3
Polarizability 25.941074 Å3 Polar Surface Area 55.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
125 - 127 °C expand Show data source
125-127°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle