4,4-dimethylcyclohexane-1-carbaldehyde - ≥97% , CAS No.394734-96-4

CAS: 394734-96-4 Cat. No.: D633786 Summenformel: C₉H₁₆O Molekulargewicht: 140.23 EG-Nummer: 815-567-7 PubChem CID: 22235295

GRADE & PURITY ≥97%

Synonyms

FT-0756234 | EN300-110172 | 4,4-dimethylCyclohexanecarboxaldehyde | MFCD21321797 | SB37004 | 4,4-dimethylcyclohexanecarbaldehyde | 4,4-Dimethyl-cyclohexanecarbaldehyde | Z1268606481 | AKOS015258608 | BS-13354 | SCHEMBL1782649 | 4,4-dimethylcyclohexane-1-c

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

FT-0756234 | EN300-110172 | 4,4-dimethylCyclohexanecarboxaldehyde | MFCD21321797 | SB37004 | 4,4-dimethylcyclohexanecarbaldehyde | 4,4-Dimethyl-cyclohexanecarbaldehyde | Z1268606481 | AKOS015258608 | BS-13354 | SCHEMBL1782649 | 4,4-dimethylcyclohexane-1-c

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CC1(CCC(CC1)C=O)C

IUPAC Name

4,4-dimethylcyclohexane-1-carbaldehyde

InChIKey

AAEIBLQPASHLSV-UHFFFAOYSA-N

INCHI

1S/C9H16O/c1-9(2)5-3-8(7-10)4-6-9/h7-8H,3-6H2,1-2H3

Isomere SMILES

CC1(CCC(CC1)C=O)C

Alternative CAS-Nummer

394734-96-4

PubChem CID

22235295

Molekulargewicht

140.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organic oxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organic oxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic oxides
• Alternative Parents: Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 140.220 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 140.12 Da
• Monoisotopic Mass: 140.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 117.000
• 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