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3-oxaspiro[5.5]undecan-9-one - 97%, high purity , CAS No.1159280-53-1
Discover 3-oxaspiro[5.5]undecan-9-one by Aladdin Scientific in 97% for only $2,219.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-OXASPIRO[5.5]UNDECAN-9-ONE | 1159280-53-1 | MFCD17013084 | 3-?oxaspiro[5.5]?undecan-?9-?one | SCHEMBL3733449 | DTXSID80738975 | OOKHKTHERWWYQI-UHFFFAOYSA-N | AKOS023413389 | AS-38596 | SY100458 | CS-0051783 | EN300-102358 | Z1255397922
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxanes
Alternative Parents
Cyclic ketones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Oxane - Cyclic ketone - Ketone - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
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
3-oxaspiro[5.5]undecan-9-one
INCHI
InChI=1S/C10H16O2/c11-9-1-3-10(4-2-9)5-7-12-8-6-10/h1-8H2
InChIKey
OOKHKTHERWWYQI-UHFFFAOYSA-N
Smiles
C1CC2(CCC1=O)CCOCC2
Isomeric SMILES
C1CC2(CCC1=O)CCOCC2
Molecular Weight
168.2328
Reaxy-Rn
14475485
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14475485&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
168.230 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
168.115 Da
Monoisotopic Mass
168.115 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
168.000
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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