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(3aR,6aR)-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one - 97%, high purity , CAS No.595581-64-9
Discover (3aR,6aR)-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one by Aladdin Scientific in 97% for only $5,837.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
595581-64-9 | (-)-(3AR,6AR)-TETRAHYDRO-2,2-DIMETHYL-4H-CYCLOPENTA-1,3-DIOXOL-4-ONE | (3aR,6aR)-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one | 148743-86-6 | (3aR,6aR)-Tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-one | (3aR,6aR)-2,2-dimethyldihydro-3aH-
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Acetals
Direct Parent
Ketals
Alternative Parents
1,3-dioxolanes Ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ketal - Meta-dioxolane - Ketone - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
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
(3aR,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
INCHI
InChI=1S/C8H12O3/c1-8(2)10-6-4-3-5(9)7(6)11-8/h6-7H,3-4H2,1-2H3/t6-,7+/m1/s1
InChIKey
NVWKQINXZFLZPL-RQJHMYQMSA-N
Smiles
CC1(OC2CCC(=O)C2O1)C
Isomeric SMILES
CC1(O[C@@H]2CCC(=O)[C@@H]2O1)C
Molecular Weight
156.181
Reaxy-Rn
47774434
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47774434&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
156.180 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
156.079 Da
Monoisotopic Mass
156.079 Da
Topological Polar Surface Area
35.500 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
198.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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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