Found 1 result

Search term: COC(C)(C)C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C(\C)=C/C=C/C=C(\C)/C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 13-cis-spheroidene | C41H60O

13-cis-spheroidene

  • Molecular FormulaC41H60O
  • Average mass568.914 Da
  • Monoisotopic mass568.464417 Da
  • ChemSpider ID4451376

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E,13cis)-1-Methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-ψ,ψ-carotene [ACD/IUPAC Name]
(3E,13cis)-1-Méthoxy-3,4-didéhydro-1,2,7',8'-tétrahydro-ψ,ψ-carotène [French] [ACD/IUPAC Name]
(3E,13cis)-1-Methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-ψ,ψ-carotin [German] [ACD/IUPAC Name]
13-cis-spheroidene
ψ,ψ-Carotene, 3,4-didehydro-1,2,7',8'-tetrahydro-1-methoxy-, (3E,13cis)- [ACD/Index Name]
spheroidene
SPO

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

Density: 0.9±0.1 g/cm3
Boiling Point: 671.1±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 349.1±13.2 °C
Index of Refraction: 1.522
Molar Refractivity: 193.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 14.15
ACD/LogD (pH 5.5): 12.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 9 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 31.2±3.0 dyne/cm
Molar Volume: 633.7±3.0 cm3

Click to predict properties on the Chemicalize site


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