ChemSpider 2D Image | (1S,7R,8R)-8-Isopropyl-1,3-dimethyltricyclo[4.4.0.0~2,7~]dec-3-ene | C15H24

(1S,7R,8R)-8-Isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID34987048
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(1S,7R,8R)-8-Isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-en [German] [ACD/IUPAC Name]
(1S,7R,8R)-8-Isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene [ACD/IUPAC Name]
(1S,7R,8R)-8-Isopropyl-1,3-diméthyltricyclo[4.4.0.02,7]déc-3-ène [French] [ACD/IUPAC Name]
15493-66-0 [RN]
Tricyclo[4.4.0.02,7]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, (1S,7R,8R)- [ACD/Index Name]
4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,5,8,8a-octahydro-1,5-cyclo-naphthalene
8-Isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene [ACD/IUPAC Name]
947-59-1 [RN]
COPAENE, (+)-
InChI=1/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12?,13?,14?,15?/m1/s
More...

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

78123715A8 [DBID]
UNII:78123715A8 [DBID]
UNII-78123715A8 [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 248.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 46.6±0.8 kJ/mol
Flash Point: 105.1±6.6 °C
Index of Refraction: 1.509
Molar Refractivity: 65.0±0.3 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): 6.08
ACD/BCF (pH 5.5): 24453.93
ACD/KOC (pH 5.5): 48168.76
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 24453.93
ACD/KOC (pH 7.4): 48168.76
Polar Surface Area: 0 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 30.7±3.0 dyne/cm
Molar Volume: 217.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement