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ChemSpider 2D Image | (1S,6S,7S,8S)-8-Isopropyl-1,3-dimethyltricyclo[4.4.0.0~2,7~]dec-3-ene | C15H24

(1S,6S,7S,8S)-8-Isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID28533804
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(1S,6S,7S,8S)-8-Isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-en [German] [ACD/IUPAC Name]
(1S,6S,7S,8S)-8-Isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene [ACD/IUPAC Name]
(1S,6S,7S,8S)-8-Isopropyl-1,3-diméthyltricyclo[4.4.0.02,7]déc-3-ène [French] [ACD/IUPAC Name]
Tricyclo[4.4.0.02,7]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, (1S,6S,7S,8S)- [ACD/Index Name]
(1S,6S,7S,8S)-1,3-dimethyl-8-(propan-2-yl)-tricyclo[4.4.0.0(2,7)]dec-3-ene
(1S,6S,7S,8S)-1,3-dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0??,???]dec-3-ene
(1S,6S,7S,8S)-1,3-dimethyl-8-(propan-2-yl)tricyclo[4.4.0.02,7]dec-3-ene
(1S,6S,7S,8S)-1,3-dimethyl-8-(propan-2-yl)tricyclo[4.4.0.0²,â·]dec-3-ene
(1S,6S,7S,8S)-8-isopropyl-1,3-dimethyltricyclo[4.4.0.0(2,7)]dec-3-ene
3856-25-5 [RN]
More...

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A sesquiterpene that is tricyclo[4.4.0.0<smallsup>2,7</smallsup>]dec-3-ene bearing an isopropyl substituent at position 8 and two methyl substituents at positions 1 and 3 (the 1<stereo>S</stereo>,6<st ereo>S</stereo>,7<stereo>S</stereo>,8<stereo>S</stereo>-diastereomer). ChEBI CHEBI:10221
      A sesquiterpene that is tricyclo[4.4.0.02,7]dec-3-ene bearing an isopropyl substituent at position 8 and two methyl substituents at positions 1 and 3 (the 1S,6S,7S,8S-diastereomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:10221

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






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