ChemSpider 2D Image | (−)-(4S,7R)-HHCB | C18H26O

(−)-(4S,7R)-HHCB

  • Molecular FormulaC18H26O
  • Average mass258.398 Da
  • Monoisotopic mass258.198364 Da
  • ChemSpider ID28534029

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
The Merck Index Online

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(−)-(4S,7R)-HHCB
(4S,7R)-4,6,6,7,8,8-Hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromen [German] [ACD/IUPAC Name]
(4S,7R)-4,6,6,7,8,8-Hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene [ACD/IUPAC Name]
(4S,7R)-4,6,6,7,8,8-Hexaméthyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromène [French] [ACD/IUPAC Name]
(4S,7R)-hexamethylindanopyran
252332-95-9 [RN]
9GPL12X95D
HEXAMETHYLINDANOPYRAN
HEXAMETHYLINDANOPYRAN, (4S,7R)-
HHCB
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 326.3±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.6±3.0 kJ/mol
Flash Point: 146.1±15.5 °C
Index of Refraction: 1.499
Molar Refractivity: 80.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.23
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 19001.99
ACD/KOC (pH 5.5): 40211.57
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 19001.99
ACD/KOC (pH 7.4): 40211.57
Polar Surface Area: 9 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 273.2±3.0 cm3

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