ChemSpider 2D Image | (Z)-phytyl acetate | C22H42O2

(Z)-phytyl acetate

  • Molecular FormulaC22H42O2
  • Average mass338.568 Da
  • Monoisotopic mass338.318481 Da
  • ChemSpider ID32702169

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2Z,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl acetate [ACD/IUPAC Name]
(2Z,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-yl-acetat [German] [ACD/IUPAC Name]
(Z)-phytyl acetate
2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, (2Z,7R,11R)- [ACD/Index Name]
5016-85-3 [RN]
Acétate de (2Z,7R,11R)-3,7,11,15-tétraméthyl-2-hexadécén-1-yle [French] [ACD/IUPAC Name]
(2E)-3,7,11,15-Tetramethylhexadec-2-en-1-yl acetate
(E)-Phytyl acetate
(R-(R*,R*-(E)))-3,7,11,15-Tetramethylhexadec-2-enyl acetate
[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] acetate
More...

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

3POO36JG9L [DBID]
AIDS058681 [DBID]
AIDS-058681 [DBID]
UNII:3POO36JG9L [DBID]
UNII-3POO36JG9L [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 405.5±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 84.0±18.5 °C
Index of Refraction: 1.454
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 9.49
ACD/LogD (pH 5.5): 8.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 804499.31
ACD/LogD (pH 7.4): 8.32
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 804499.31
Polar Surface Area: 26 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 29.4±3.0 dyne/cm
Molar Volume: 389.7±3.0 cm3

Click to predict properties on the Chemicalize site


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