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8-oxa-2-azaspiro[4.5]decan-3-one - 97%, high purity , CAS No.194862-84-5
Basic Description
Synonyms
8-oxa-2-azaspiro[4.5]decan-3-one | 194862-84-5 | MFCD13180589 | SCHEMBL6922306 | DTXSID30441982 | CS-B0203 | AKOS014312467 | AM10414 | PB33154 | 8-Oxa-2-aza-spiro[4.5]decan-3-one | AS-33866 | SY042149 | EN300-95296 | Z1255400620
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azaspirodecane derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azaspirodecane derivatives
Alternative Parents
Pyrrolidine-2-ones Oxanes Secondary carboxylic acid amides Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Azaspirodecane - Oxane - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxide - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
8-oxa-2-azaspiro[4.5]decan-3-one
INCHI
InChI=1S/C8H13NO2/c10-7-5-8(6-9-7)1-3-11-4-2-8/h1-6H2,(H,9,10)
InChIKey
KPHVZBBAIJUNAC-UHFFFAOYSA-N
Smiles
C1COCCC12CC(=O)NC2
Isomeric SMILES
C1COCCC12CC(=O)NC2
Molecular Weight
155.197
Reaxy-Rn
8311827
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8311827&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
155.190 g/mol
XLogP3
-0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
155.095 Da
Monoisotopic Mass
155.095 Da
Topological Polar Surface Area
38.300 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
173.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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