trans,trans-4-[(E)-1-Propenyl]-4'-propylbicyclohexyl - ≥98% , CAS No.279246-65-0

CAS: 279246-65-0 Cat. No.: T162460 Molecular Weight: 248.45 PubChem CID: 22290094

GRADE & PURITY ≥98%

Synonyms

(trans,trans)-4-((E)-Prop-1-en-1-yl)-4'-propyl-1,1'-bi(cyclohexane) | (trans,trans)-4-(Prop-1-en-1-yl)-4'-propyl-1,1'-bi(cyclohexane) | BCP17170 | AKOS025401069 | P2371 | 1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane | DTXSID10624418 | (1r,1's,4r,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(trans, trans)-4-((E)-Prop-1-en-1-yl)-4'-propyl-1, 1'-bi(cyclohexane) | (trans, trans)-4-(Prop-1-en-1-yl)-4'-propyl-1, 1'-bi(cyclohexane) | BCP17170 | AKOS025401069 | P2371 | 1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane | DTXSID10624418 | (1r, 1's, 4r,

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200102
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200102
• Canonical Smiles: CCCC1CCC(CC1)C2CCC(CC2)C=CC
• IUPAC Name: 1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
• InChIKey: IASLDLGGHXYCEO-HWKANZROSA-N
• INCHI: 1S/C18H32/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3,5,15-18H,4,6-14H2,1-2H3/b5-3+
• Isomeric SMILES: CCCC1CCC(CC1)C2CCC(CC2)/C=C/C
• PubChem CID: 22290094
• Molecular Weight: 248.45
• Reaxy-Rn: 12394044

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Olefins

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic olefins
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic olefin - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclic olefins. These are olefins that contain at least one ring in their structure.
• 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

• Melt Point(°C): 45 °C
• Molecular Weight: 248.400 g/mol
• XLogP3: 7.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 248.25 Da
• Monoisotopic Mass: 248.25 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 237.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1