GRADE & PURITY ≥98%

Synonyms

SC11386 | MFCD00013415 | SCHEMBL6324369 | ((1S,2S,5R)-2-Isopropyl-5-methylcyclohexyl)diphenylphosphine | ((1S,2S,5R)-2-Isopropyl-5-methylcyclohexyl)-diphenylphosphine | [(1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]diphenylphosphane | (+)-NEOMENTHYLDIPHE

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

SC11386 | MFCD00013415 | SCHEMBL6324369 | ((1S, 2S, 5R)-2-Isopropyl-5-methylcyclohexyl)diphenylphosphine | ((1S, 2S, 5R)-2-Isopropyl-5-methylcyclohexyl)-diphenylphosphine | [(1S, 2S, 5R)-5-methyl-2-(propan-2-yl)cyclohexyl]diphenylphosphane | (+)-NEOMENTHYLDIPHE

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1CCC(C(C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C
• IUPAC Name: [(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-diphenylphosphane
• InChIKey: BEYDOEXXFGNVRZ-COPCDDAFSA-N
• INCHI: 1S/C22H29P/c1-17(2)21-15-14-18(3)16-22(21)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3/t18-,21+,22+/m1/s1
• Isomeric SMILES: C[C@@H]1CC[C@H]([C@H](C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C
• PubChem CID: 2734569
• Molecular Weight: 324.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Menthane monoterpenoids Benzene and substituted derivatives Organic phosphines and derivatives Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - Benzenoid - Monocyclic benzene moiety - Phosphine - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
• 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

• Sensitivity: Air Sensitive
• Melt Point(°C): 95-99°C
• Molecular Weight: 324.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 324.201 Da
• Monoisotopic Mass: 324.201 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 320.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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