The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate - 97%, high purity
Discover methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate by Aladdin Scientific in 97% for only $2,534.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
78685-51-5 | METHYL 2,2-DIMETHYL-3-OXOCYCLOBUTANECARBOXYLATE | methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate | Cyclobutanecarboxylic acid, 2,2-dimethyl-3-oxo-, methyl ester | SCHEMBL15549635 | GYEUKBYFWMJNSM-UHFFFAOYSA-N | MFCD21332873 | AKOS025291194 | PB31192 | AS-5
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid esters
Direct Parent
Methyl esters
Alternative Parents
Cyclic ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homomonocyclic compounds
Substituents
Methyl ester - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.
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
methyl 2,2-dimethyl-3-oxocyclobutane-1-carboxylate
INCHI
InChI=1S/C8H12O3/c1-8(2)5(4-6(8)9)7(10)11-3/h5H,4H2,1-3H3
InChIKey
GYEUKBYFWMJNSM-UHFFFAOYSA-N
Smiles
CC1(C(CC1=O)C(=O)OC)C
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
156.180 g/mol
XLogP3
0.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
156.079 Da
Monoisotopic Mass
156.079 Da
Topological Polar Surface Area
43.400 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
205.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
