ChemSpider 2D Image | (1R,3aR,3bS,6aR,6bS)-1-Isopropyl-3a-methyl-6-methylenedecahydrocyclopenta[3,4]cyclobuta[1,2]cyclopentene | C15H24

(1R,3aR,3bS,6aR,6bS)-1-Isopropyl-3a-methyl-6-methylenedecahydrocyclopenta[3,4]cyclobuta[1,2]cyclopentene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID34991888

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,3aR,3bS,6aR,6bS)-1-Isopropyl-3a-methyl-6-methylendecahydrocyclopenta[3,4]cyclobuta[1,2]cyclopenten [German] [ACD/IUPAC Name]
(1R,3aR,3bS,6aR,6bS)-1-Isopropyl-3a-methyl-6-methylenedecahydrocyclopenta[3,4]cyclobuta[1,2]cyclopentene [ACD/IUPAC Name]
(1R,3aR,3bS,6aR,6bS)-1-Isopropyl-3a-méthyl-6-méthylènedécahydrocyclopenta[3,4]cyclobuta[1,2]cyclopentène [French] [ACD/IUPAC Name]
Cyclobuta[1,2-a:3,4-a']dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, (1R,3aR,3bS,6aR,6bS)- [ACD/Index Name]
(-)-β-Bourbonene
1,2,3,3a,3bβ,4,5,6,6aβ,6bα-decahydro-1α-isopropyl-3aα-methyl-6-methylenecyclobuta(1,2:3,4)dicyclopentene
13833-27-7 [RN]
5208-59-3 [RN]
Bourbonene, β-
Cyclobuta(1,2:3,4)dicyclopentene, 1,2,3,3a,3bβ,4,5,6,6aβ,6bα-decahydro-1α-isopropyl-3aα-methyl-6-methylene
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

UNII-KIZ51R7NTL [DBID]

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

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): 5.58
ACD/BCF (pH 5.5): 10207.62
ACD/KOC (pH 5.5): 25773.75
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10207.62
ACD/KOC (pH 7.4): 25773.75
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


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