ChemSpider 2D Image | sativene | C15H24

sativene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID28184685
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(1S,3R,6R,8R)-3-Isopropyl-6-methyl-7-methylenetricyclo[4.4.0.02,8]decane [ACD/IUPAC Name]
(1S,3R,6R,8R)-3-Isopropyl-6-méthyl-7-méthylènetricyclo[4.4.0.02,8]décane [French] [ACD/IUPAC Name]
(1S,3R,6R,8R)-3-Isopropyl-6-methyl-7-methylentricyclo[4.4.0.02,8]decan [German] [ACD/IUPAC Name]
1,4-Methano-1H-indene, octahydro-4-methyl-8-methylene-7-(1-methylethyl)-, (1R,3aS,4R,7R)- [ACD/Index Name]
sativene
(+)-Sativene
(1R,3aS,4R,7R,7aR)-4-methyl-8-methylene-7-(propan-2-yl)-octahydro-1H-1,4-methanoindene
(1R,3aS,4R,7R,7aR)-7-isopropyl-4-methyl-8-methyleneoctahydro-1H-1,4-methanoindene
6813-05-4 [RN]
  • Miscellaneous
    • Chemical Class:

      A sesquiterpene that is octahydro-1<element>H</element>-1,4-methanoindene bearing methyl, isopropyl and methylene substituents at positions 4, 7 and 8 respectively (the 1<stereo>R</stereo>,3a<stereo>S </stereo>,4<stereo>R</stereo>,7<stereo>R</stereo>,7a<stereo>R</stereo>-isomer). ChEBI CHEBI:64800

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 255.9±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 47.3±0.8 kJ/mol
Flash Point: 104.9±5.8 °C
Index of Refraction: 1.505
Molar Refractivity: 64.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5405.60
ACD/KOC (pH 5.5): 16351.67
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5405.60
ACD/KOC (pH 7.4): 16351.67
Polar Surface Area: 0 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 30.7±5.0 dyne/cm
Molar Volume: 218.3±5.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form