ChemSpider 2D Image | aspergillusene A | C15H22O2

aspergillusene A

  • Molecular FormulaC15H22O2
  • Average mass234.334 Da
  • Monoisotopic mass234.161987 Da
  • ChemSpider ID26629105

  • Double-bond stereo - Double-bond stereo

More details:

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

1313712-06-9 [RN]
4-[(1E)-1,5-Dimethyl-1-hexen-1-yl]-3-hydroxybenzenemethanol
5-(Hydroxymethyl)-2-[(2E)-6-methyl-2-hepten-2-yl]phenol [German] [ACD/IUPAC Name]
5-(Hydroxymethyl)-2-[(2E)-6-methyl-2-hepten-2-yl]phenol [ACD/IUPAC Name]
5-(Hydroxyméthyl)-2-[(2E)-6-méthyl-2-heptén-2-yl]phénol [French] [ACD/IUPAC Name]
aspergillusene A
Benzenemethanol, 4-[(1E)-1,5-dimethyl-1-hexen-1-yl]-3-hydroxy- [ACD/Index Name]
(E)-5-(hydroxymethyl)-2-(6'-methylhept-2'-en-2'-yl)phenol
5-(hydroxymethyl)-2-[(2E)-6-methylhept-2-en-2-yl]phenol
  • Miscellaneous

    • Chemical Class:

      A sesquiterpenoid that is phenol substituted by a hydroxymethyl group at position 5 and a (2<stereo>E</stereo>)-6-methylhept-2-en-2-yl group at position 2. An <ital>Aspergillus </ital> metabolite isol ated from the sea fan derived fungus <ital>Aspergillus sydowii</ital>. ChEBI CHEBI:68218
      A sesquiterpenoid that is phenol substituted by a hydroxymethyl group at position 5 and a (2E)-6-methylhept-2-en-2-yl group at position 2. An Aspergillus metabolite isol; ated from the sea fan derive d fungus Aspergillus sydowii. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68218
      A sesquiterpenoid that is phenol substituted by a hydroxymethyl group at position 5 and a (2E)-6-methylhept-2-en-2-yl group at position 2. An Aspergillus metabolite isolated from the sea fan derived f ungus Aspergillus sydowii. ChEBI CHEBI:68218

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

Density: 1.0±0.1 g/cm3
Boiling Point: 377.6±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 174.5±13.9 °C
Index of Refraction: 1.544
Molar Refractivity: 72.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 537.77
ACD/KOC (pH 5.5): 3134.45
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 536.57
ACD/KOC (pH 7.4): 3127.44
Polar Surface Area: 40 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 228.9±3.0 cm3

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