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diethyl tetrahydropyran-4，4-dicarboxylate , CAS No.5382-77-4

COA

Cas Number: 5382-77-4
Molecular Weight: 230.26
PubChem CID: 239606

In stock

Item Number

D696704

Grouped product items
SKU	Size	Availability	Price	Qty
D696704-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$411.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Oxanes
Alternative Parents	Dicarboxylic acids and derivatives Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Oxane - Dicarboxylic acid or derivatives - Carboxylic acid ester - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	diethyl oxane-4,4-dicarboxylate
INCHI	InChI=1S/C11H18O5/c1-3-15-9(12)11(10(13)16-4-2)5-7-14-8-6-11/h3-8H2,1-2H3
InChIKey	ILUMJWCFQOFDMA-UHFFFAOYSA-N
Smiles	CCOC(=O)C1(CCOCC1)C(=O)OCC
Isomeric SMILES	CCOC(=O)C1(CCOCC1)C(=O)OCC
PubChem CID	239606
Molecular Weight	230.26

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	230.260 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	230.115 Da
Monoisotopic Mass	230.115 Da
Topological Polar Surface Area	61.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	235.000
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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