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Substance Name: (C6)-CP-47497
RN: 132296-20-9
UNII: DU5BQ63J05
InChIKey: KQUGQXNYBWYGAI-DOTOQJQBSA-N

Molecular Formula

  • C20-H32-O2

Molecular Weight

  • 304.4708
 
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Names and Synonyms

Name of Substance

  • (C6)-CP-47497

Synonyms

  • (C6)-Cp 47,497
  • (C6)-CP-47497
  • 2-((1S,3R)-3-Hydroxycyclohexyl)-5-(1,1-dimethylhexyl)phenol
  • Phenol, 5-(1,1-dimethylhexyl)-2-((1S,3R)-3-hydroxycyclohexyl)-
  • Phenol, 5-(1,1-dimethylhexyl)-2-(3-hydroxycyclohexyl)-, (1S-cis)-
  • UNII-DU5BQ63J05

Registry Numbers

CAS Registry Number

  • 132296-20-9

FDA UNII

  • DU5BQ63J05

System Generated Number

  • 0132296209

Structure Descriptors

InChI

1S/C20H32O2/c1-4-5-6-12-20(2,3)16-10-11-18(19(22)14-16)15-8-7-9-17(21)13-15/h10-11,14-15,17,21-22H,4-9,12-13H2,1-3H3/t15-,17+/m0/s1

InChIKey

KQUGQXNYBWYGAI-DOTOQJQBSA-N

Smiles

CCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.97 (none)   EXP
Water Solubility 1.130 mg/L 25 EST
Vapor Pressure 3.52E-09 mm Hg 25 EST
Henry's Law Constant 3.30E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.13E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.