ChemSpider 2D Image | (1R,3S,6S)-3,7,7-Trimethylbicyclo[4.1.0]heptane | C10H18

(1R,3S,6S)-3,7,7-Trimethylbicyclo[4.1.0]heptane

  • Molecular FormulaC10H18
  • Average mass138.250 Da
  • Monoisotopic mass138.140854 Da
  • ChemSpider ID24591812
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R,3S,6S)-3,7,7-Trimethylbicyclo[4.1.0]heptan [German] [ACD/IUPAC Name]
(1R,3S,6S)-3,7,7-Trimethylbicyclo[4.1.0]heptane [ACD/IUPAC Name]
(1R,3S,6S)-3,7,7-Triméthylbicyclo[4.1.0]heptane [French] [ACD/IUPAC Name]
Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, (1R,3S,6S)- [ACD/Index Name]
(1R,3S,6S)-rel-3,7,7-Trimethylbicyclo(4.1.0)heptane
18968-23-5 [RN]
Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, (1α,3α,6α)-
  • Gas Chromatography
    • Retention Index (Kovats):

      977.5 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Start T: 70 C; CAS no: 18968235; Active phase: Squalane; Carrier gas: N2; Data type: Kovats RI; Authors: Udarov, B.G.; Manukov, E.N.; Vyglazov, O.G.; Chuiko, V.A.; Izotova, L.V., Gas-chromatographic analysis of alkylated derivatives of carane and of cyclohelptane in capillary columns, Chem. Nat. Compd. (Engl. Transl.), 22(4), 1987, 398-403, In original 427-432.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      988.1 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column diameter: 0.25 mm; Column length: 55 m; Column type: Capillary; CAS no: 18968235; Active phase: OV-101; Data type: Normal alkane RI; Authors: Bazul'chik, V.V., Gas-liquid chromatographic investigation of natural monoterpenoids and their synthetic analogues, Zh. Anal. Khim., 43, 1988, 1494-1496.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 169.0±0.0 °C at 760 mmHg
Vapour Pressure: 2.1±0.1 mmHg at 25°C
Enthalpy of Vaporization: 38.9±0.8 kJ/mol
Flash Point: 36.0±11.7 °C
Index of Refraction: 1.455
Molar Refractivity: 44.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1140.43
ACD/KOC (pH 5.5): 5368.44
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1140.43
ACD/KOC (pH 7.4): 5368.44
Polar Surface Area: 0 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 26.5±3.0 dyne/cm
Molar Volume: 163.6±3.0 cm3

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