DL-Menthyl borate - ≥97% , CAS No.62697-74-9

CAS: 62697-74-9 Cat. No.: D351610 Summenformel: C₃₀H₅₇BO₃ Molekulargewicht: 476.58 EG-Nummer: 263-701-2

GRADE & PURITY ≥97%

Synonyms

SCHEMBL10585538 | Tris[5-methyl-2-(propan-2-yl)cyclohexyl] borate | tris(5-methyl-2-propan-2-ylcyclohexyl) borate | DTXSID30908601 | Trimenthylborat | APDCUDTVQNGARJ-UHFFFAOYSA-N | tris(2-isopropyl-5-methylcyclohexyl) borate | Cyclohexanol, 5-methyl-2-(1-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

SCHEMBL10585538 | Tris[5-methyl-2-(propan-2-yl)cyclohexyl] borate | tris(5-methyl-2-propan-2-ylcyclohexyl) borate | DTXSID30908601 | Trimenthylborat | APDCUDTVQNGARJ-UHFFFAOYSA-N | tris(2-isopropyl-5-methylcyclohexyl) borate | Cyclohexanol, 5-methyl-2-(1-

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488194879

Kanonisches Lächeln

B(OC1CC(CCC1C(C)C)C)(OC2CC(CCC2C(C)C)C)OC3CC(CCC3C(C)C)C

IUPAC Name

tris(5-methyl-2-propan-2-ylcyclohexyl) borate

InChIKey

APDCUDTVQNGARJ-UHFFFAOYSA-N

INCHI

1S/C30H57BO3/c1-19(2)25-13-10-22(7)16-28(25)32-31(33-29-17-23(8)11-14-26(29)20(3)4)34-30-18-24(9)12-15-27(30)21(5)6/h19-30H,10-18H2,1-9H3

Isomere SMILES

B(OC1CC(CCC1C(C)C)C)(OC2CC(CCC2C(C)C)C)OC3CC(CCC3C(C)C)C

Molekulargewicht

476.58

Reaxy-Rn

2394002

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2394002&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Menthane monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Organic metalloid salts Organooxygen compounds Organic oxoanionic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Organic borate - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
• 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: 476.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 476.44 Da
• Monoisotopic Mass: 476.44 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 513.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 9
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3