ChemSpider 2D Image | (1S,15S)-5-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0~1,9~.0~2,6~.0~10,15~]nonadec-18-en-13-ol | C28H44O3

(1S,15S)-5-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol

  • Molecular FormulaC28H44O3
  • Average mass428.647 Da
  • Monoisotopic mass428.329041 Da
  • ChemSpider ID22889662

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 10 defined stereocentres

More details:

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

(1S,15S)-5-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol [ACD/IUPAC Name]
(1S,15S)-5-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol [German] [ACD/IUPAC Name]
(1S,15S)-5-[(2R,3E,5R)-5,6-Diméthyl-3-heptén-2-yl]-6,10-diméthyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadéc-18-én-13-ol [French] [ACD/IUPAC Name]
3b,5a-Etheno-1H-benz[c]indeno[5,4-e][1,2]dioxin-7-ol, 2,3,3a,6,7,8,9,9a,9b,10,11,11a-dodecahydro-9a,11a-dimethyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-, (3bS,5aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 499.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.5±6.0 kJ/mol
Flash Point: 256.0±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 126.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.68
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 139126.00
ACD/KOC (pH 5.5): 167197.36
ACD/LogD (pH 7.4): 7.07
ACD/BCF (pH 7.4): 139126.00
ACD/KOC (pH 7.4): 167197.36
Polar Surface Area: 39 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 395.1±5.0 cm3

Click to predict properties on the Chemicalize site


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