Found 3 results

Search term: MF = 'C_{45}H_{66}O'
ChemSpider 2D Image | (3R,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-Octamethyl-3-(3-methyl-2-buten-1-yl)-6,8,10,12,14,16,18,20,22,24,26,30-dotriacontadodecaen-2-ol (non-preferred name) | C45H66O

(3R,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-Octamethyl-3-(3-methyl-2-buten-1-yl)-6,8,10,12,14,16,18,20,22,24,26,30-dotriacontadodecaen-2-ol (non-preferred name)

  • Molecular FormulaC45H66O
  • Average mass623.005 Da
  • Monoisotopic mass622.511353 Da
  • ChemSpider ID59700328

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-Octamethyl-3-(3-methyl-2-buten-1-yl)-6,8,10,12,14,16,18,20,22,24,26,30-dotriacontadodecaen-2-ol (non-preferred name) [German] [ACD/IUPAC Name]
(3R,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-Octamethyl-3-(3-methyl-2-buten-1-yl)-6,8,10,12,14,16,18,20,22,24,26,30-dotriacontadodecaen-2-ol (non-preferred name) [ACD/IUPAC Name]
(3R,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-Octaméthyl-3-(3-méthyl-2-butén-1-yl)-6,8,10,12,14,16,18,20,22,24,26,30-dotriacontadodécaén-2-ol (non-preferred name) [French] [ACD/IUPAC Name]
(2S)-2-(3-Methylbut-2-enyl)-1,2-dihydro-ψ,ψ-caroten-1-ol
(3R,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyl-3-(3-methylbut-2-en-1-yl)dotriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaen-2-ol
dihydroisopentenyldehydrorhodopin
  • Miscellaneous

    • Chemical Class:

      A C<smallsub>45</smallsub> carotenoid that is an intermediate in the biosynthesis of bacterioruberin, a red-coloured pigment found in several <ital>Halobacterium</ital> and <ital>Haloarcula</ital> spe cies. ChEBI CHEBI:87163
      A C45 carotenoid that is an intermediate in the biosynthesis of bacterioruberin, a red-coloured pigment found in several Halobacterium and Haloarcula spe; cies. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87163
      A C45 carotenoid that is an intermediate in the biosynthesis of bacterioruberin, a red-coloured pigment found in several Halobacterium and Haloarcula species. ChEBI CHEBI:87163

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

Density: 0.9±0.1 g/cm3
Boiling Point: 736.0±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.6±6.0 kJ/mol
Flash Point: 159.5±23.3 °C
Index of Refraction: 1.530
Molar Refractivity: 211.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 15.44
ACD/LogD (pH 5.5): 13.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 83.8±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 684.7±3.0 cm3

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