(R)-(+)-4-(Methoxymethyl)-1,3-dioxolan-2-one - ≥98%(GC) , CAS No.185836-34-4

CAS: 185836-34-4 Cat. No.: R160947 Molecular Weight: 132.12 Beilstein Registry Number: 19(5)5,442 EC Number: 843-834-8 PubChem CID: 13706498

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS015851528 | MFCD01321303 | D91503 | AS-64520 | M1451 | (R)-(+)-4-(Methoxymethyl)-1,3-dioxolan-2-one | (R)-(+)-3-Methoxypropylene Carbonate | (R)-(+)-4-(Methoxymethyl)-2-oxo-1,3-dioxolane | A880700 | SCHEMBL7403472 | DTXSID20547245 | EN300-7404435 | 1,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS015851528 | MFCD01321303 | D91503 | AS-64520 | M1451 | (R)-(+)-4-(Methoxymethyl)-1, 3-dioxolan-2-one | (R)-(+)-3-Methoxypropylene Carbonate | (R)-(+)-4-(Methoxymethyl)-2-oxo-1, 3-dioxolane | A880700 | SCHEMBL7403472 | DTXSID20547245 | EN300-7404435 | 1,

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: COCC1COC(=O)O1
• IUPAC Name: (4R)-4-(methoxymethyl)-1,3-dioxolan-2-one
• InChIKey: DNSGQMOSYDHNHO-SCSAIBSYSA-N
• INCHI: 1S/C5H8O4/c1-7-2-4-3-8-5(6)9-4/h4H,2-3H2,1H3/t4-/m1/s1
• Isomeric SMILES: COC[C@@H]1COC(=O)O1
• PubChem CID: 13706498
• Molecular Weight: 132.12
• Beilstein: 19(5)5,442
• Reaxy-Rn: 8036497

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives
      • Subclass Carbonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Carbonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbonic acid diesters
• Alternative Parents: 1,3-dioxolanes Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Carbonic acid diester - Meta-dioxolane - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - 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 carbonic acid diesters. These are compounds comprising the carbonic acid diester functional 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water
• Refractive Index: 1.44
• Specific Rotation[α]: 46° (neat)
• Boil Point(°C): 106 °C/0.9 mmHg
• Molecular Weight: 132.110 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 132.042 Da
• Monoisotopic Mass: 132.042 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 112.000
• 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