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(S)-5-Allyl-2-oxabicyclo[3.3.0]oct-8-ene - >98.0%(GC), high purity , CAS No.1052236-86-8
Basic Description
Synonyms
(S)-5-Allyl-2-oxabicyclo[3.3.0]oct-8-ene | 1052236-86-8 | AKOS028109774 | D88492 | (S)-3a-Allyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan | SCHEMBL16468321 | (3aS)-3a-prop-2-enyl-2,3,4,5-tetrahydrocyclopenta[b]furan | (S)-5-Allyl-2-oxabicyclo[3.3.0]oct-8-
Specifications & Purity
≥98%(GC)
Storage Temp
Argon charged
Shipped In
Normal
Product Description
Widely applicable for alcohols and thiols which have been hard to be chiral-resolved with existing methods. Enabling to reduce production costs because of easy recovery.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxocins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxocins
Alternative Parents
Oxolanes Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Oxocin - Oxolane - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxocins. These are compounds containing an oxocin ring, which is a eight-member unsaturated aromatic ring containing one oxygen atom and seven 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
(3aS)-3a-prop-2-enyl-2,3,4,5-tetrahydrocyclopenta[b]furan
INCHI
InChI=1S/C10H14O/c1-2-5-10-6-3-4-9(10)11-8-7-10/h2,4H,1,3,5-8H2/t10-/m1/s1
InChIKey
WBRYUDKSKFXYOD-SNVBAGLBSA-N
Smiles
C=CCC12CCC=C1OCC2
Isomeric SMILES
C=CC[C@]12CCC=C1OCC2
WGK Germany
3
PubChem CID
57372770
Molecular Weight
150.22
Reaxy-Rn
11199331
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
air sensitive
Refractive Index
n20/D 1.497
Specific Rotation[α]
106° (C=1,MeOH)
Flash Point(°F)
74°C(lit.)
Flash Point(°C)
74°C(lit.)
Molecular Weight
150.220 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
150.104 Da
Monoisotopic Mass
150.104 Da
Topological Polar Surface Area
9.200 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
205.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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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