ChemSpider 2D Image | (2S)-1,1,2,3,3-Pentamethyl-1,2,3,5,6,7-hexahydro-4H-inden-4-one | C14H22O

(2S)-1,1,2,3,3-Pentamethyl-1,2,3,5,6,7-hexahydro-4H-inden-4-one

  • Molecular FormulaC14H22O
  • Average mass206.324 Da
  • Monoisotopic mass206.167068 Da
  • ChemSpider ID32787248

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1,1,2,3,3-Pentamethyl-1,2,3,5,6,7-hexahydro-4H-inden-4-on [German] [ACD/IUPAC Name]
(2S)-1,1,2,3,3-Pentamethyl-1,2,3,5,6,7-hexahydro-4H-inden-4-one [ACD/IUPAC Name]
(2S)-1,1,2,3,3-Pentaméthyl-1,2,3,5,6,7-hexahydro-4H-indén-4-one [French] [ACD/IUPAC Name]
4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-, (2S)- [ACD/Index Name]
251-649-3 [EINECS]
33704-61-9 [RN]
DIHYDRO PENTAMETHYLINDANONE
UNII-BZR4438MY4

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

Density: 1.0±0.1 g/cm3
Boiling Point: 286.1±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.5±3.0 kJ/mol
Flash Point: 127.0±9.0 °C
Index of Refraction: 1.495
Molar Refractivity: 62.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 720.14
ACD/KOC (pH 5.5): 3863.16
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 720.14
ACD/KOC (pH 7.4): 3863.16
Polar Surface Area: 17 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 31.9±5.0 dyne/cm
Molar Volume: 213.7±5.0 cm3

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