Found 1 result

Search term: PHVQRZMXYZHMMS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,4aR)-1,4a-Dimethyl-6-methylene-5-[(5,5,6,6-tetracyano-2-methyl-2-cyclohexen-1-yl)methyl]decahydro-1-naphthalenecarboxylic acid | C26H30N4O2

(1S,4aR)-1,4a-Dimethyl-6-methylene-5-[(5,5,6,6-tetracyano-2-methyl-2-cyclohexen-1-yl)methyl]decahydro-1-naphthalenecarboxylic acid

  • Molecular FormulaC26H30N4O2
  • Average mass430.542 Da
  • Monoisotopic mass430.236877 Da
  • ChemSpider ID30650817

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(1S,4aR)-1,4a-Dimethyl-6-methylen-5-[(5,5,6,6-tetracyan-2-methyl-2-cyclohexen-1-yl)methyl]decahydro-1-naphthalincarbonsäure [German] [ACD/IUPAC Name]
(1S,4aR)-1,4a-Dimethyl-6-methylene-5-[(5,5,6,6-tetracyano-2-methyl-2-cyclohexen-1-yl)methyl]decahydro-1-naphthalenecarboxylic acid [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-[(5,5,6,6-tetracyano-2-methyl-2-cyclohexen-1-yl)methyl]-, (1S,4aR)- [ACD/Index Name]
Acide (1S,4aR)-1,4a-diméthyl-6-méthylène-5-[(5,5,6,6-tétracyano-2-méthyl-2-cyclohexén-1-yl)méthyl]décahydro-1-naphtalènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 681.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±6.0 kJ/mol
Flash Point: 365.7±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 116.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 413.91
ACD/KOC (pH 5.5): 1456.97
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 6.54
ACD/KOC (pH 7.4): 23.01
Polar Surface Area: 132 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 358.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement