ChemSpider 2D Image | (-)-twistane | C10H16

(-)-twistane

  • Molecular FormulaC10H16
  • Average mass136.234 Da
  • Monoisotopic mass136.125198 Da
  • ChemSpider ID34984822

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(-)-twistane
(1S,3S,6S,8S)-Tricyclo[4.4.0.03,8]decan [German] [ACD/IUPAC Name]
(1S,3S,6S,8S)-Tricyclo[4.4.0.03,8]decane [ACD/IUPAC Name]
(1S,3S,6S,8S)-Tricyclo[4.4.0.03,8]décane [French] [ACD/IUPAC Name]
37165-27-8 [RN]
Tricyclo[4.4.0.03,8]decane, (1S,3S,6S,8S)- [ACD/Index Name]
253-14-5 [RN]
twistane
TWISTANE, (-)-

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

AI62L58705 [DBID]
UNII:AI62L58705 [DBID]
UNII-4T296B0U5O [DBID]
UNII-AI62L58705 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 187.1±7.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 40.6±0.8 kJ/mol
Flash Point: 48.9±11.7 °C
Index of Refraction: 1.517
Molar Refractivity: 42.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 446.58
ACD/KOC (pH 5.5): 2744.13
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 446.58
ACD/KOC (pH 7.4): 2744.13
Polar Surface Area: 0 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 139.4±3.0 cm3

Click to predict properties on the Chemicalize site


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