ChemSpider 2D Image | 1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)(~2~H_3_)ethanone | C18H23D3O

1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)(2H3)ethanone

  • Molecular FormulaC18H23D3O
  • Average mass261.417 Da
  • Monoisotopic mass261.217194 Da
  • ChemSpider ID34451737

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(3,5,5,6,8,8-Hexaméthyl-5,6,7,8-tétrahydro-2-naphtalényl)(2H3)éthanone [French] [ACD/IUPAC Name]
1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)(2H3)ethanone [ACD/IUPAC Name]
1-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydro-2-naphthalinyl)(2H3)ethanon [German] [ACD/IUPAC Name]
Ethanone-2,2,2-d3, 1-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)- [ACD/Index Name]
1396967-82-0 [RN]
2,2,2-trideuterio-1-(1,1,2,4,4,7-hexamethyltetralin-6-yl)ethanone
2,2,2-trideuterio-1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone
AHTN (Tonalide) D3 100 ?g/mL in Isooctane
AHTN (Tonalide) D3 100 µg/mL in Isooctane
AHTN D3 (acetyl D3) 100 ?g/mL in Isooctane

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 356.8±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.2±3.0 kJ/mol
Flash Point: 149.9±19.8 °C
Index of Refraction: 1.490
Molar Refractivity: 81.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13834.29
ACD/KOC (pH 5.5): 32039.44
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13834.29
ACD/KOC (pH 7.4): 32039.44
Polar Surface Area: 17 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 30.8±3.0 dyne/cm
Molar Volume: 280.9±3.0 cm3

Click to predict properties on the Chemicalize site


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