ChemSpider 2D Image | Cyclooctatin | C20H34O3

Cyclooctatin

  • Molecular FormulaC20H34O3
  • Average mass322.482 Da
  • Monoisotopic mass322.250793 Da
  • ChemSpider ID31150553

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3S,3aR,4R,6Z,7S,9aS,10aS)-1-(Hydroxymethyl)-7-isopropyl-4,9a-dimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulen-3,4-diol [German] [ACD/IUPAC Name]
(1S,3S,3aR,4R,6Z,7S,9aS,10aS)-1-(Hydroxymethyl)-7-isopropyl-4,9a-dimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-3,4-diol [ACD/IUPAC Name]
(1S,3S,3aR,4R,6Z,7S,9aS,10aS)-1-(Hydroxyméthyl)-7-isopropyl-4,9a-diméthyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodécahydrodicyclopenta[a,d][8]annulène-3,4-diol [French] [ACD/IUPAC Name]
Cyclooctatin
Dicyclopenta[a,d]cyclooctene-3,4-diol, 1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydro-1-(hydroxymethyl)-4,9a-dimethyl-7-(1-methylethyl)-, (1S,3S,3aR,4R,6Z,7S,9aS,10aS)- [ACD/Index Name]
(1S,3S,3aR,4R,6Z,7S,9aS,10aS)-1-(hydroxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-3,4-diol; (1S,3S,3aR,4R,6Z,7S,9aS,10aS)-1-(hydroxymet
(1S,3S,3aR,4R,6Z,7S,9aS,10aS)-1-(hydroxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene-3,4-diol; (1S,3S,3aR,4R,6Z,7S,9aS,10aS)-1-(hydroxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d]cyclooctene-3,4-diol
(1S,3S,3aR,4R,6Z,7S,9aS,10aS)-1-(hydroxymethyl)-7-isopropyl-4,9a-dimethyl-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d]cyclooctene-3,4-diol
hyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,7,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d]cyclooctene-3,4-diol
  • Miscellaneous

    • Chemical Class:

      A diterpenoid characterized by a 5-8-5 dodecahydrodicyclopenta[a,d]cyclooctene fused-ring system, with a single double bond and one isopropyl, two hydroxy, one hydroxymethyl and two methyl substituent s. ChEBI CHEBI:78370

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

Density: 1.1±0.1 g/cm3
Boiling Point: 465.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.8±6.0 kJ/mol
Flash Point: 207.4±23.3 °C
Index of Refraction: 1.550
Molar Refractivity: 92.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 317.47
ACD/KOC (pH 5.5): 2149.45
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 317.47
ACD/KOC (pH 7.4): 2149.45
Polar Surface Area: 61 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 291.0±5.0 cm3

Click to predict properties on the Chemicalize site


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