Found 4 results

Search term: MF = 'C_{38}H_{32}O_{5}'
ChemSpider 2D Image | Benzoic acid, 9-[2-(adamantan-2-yliden-methoxymethyl)-phenyl]-6-oxo-6H-xanthen-3-yl ester | C38H32O5

Benzoic acid, 9-[2-(adamantan-2-yliden-methoxymethyl)-phenyl]-6-oxo-6H-xanthen-3-yl ester

  • Molecular FormulaC38H32O5
  • Average mass568.658 Da
  • Monoisotopic mass568.224976 Da
  • ChemSpider ID494824

  • Double-bond stereo - Double-bond stereo

More details:

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

3H-Xanthen-3-one, 6-(benzoyloxy)-9-[2-(methoxytricyclo[3.3.1.13,7]dec-2-ylidenemethyl)phenyl]- [ACD/Index Name]
9-{2-[Methoxy(tricyclo[3.3.1.13,7]dec-2-yliden)methyl]phenyl}-3-oxo-3H-xanthen-6-yl-benzoat [German] [ACD/IUPAC Name]
9-{2-[Methoxy(tricyclo[3.3.1.13,7]dec-2-ylidene)methyl]phenyl}-3-oxo-3H-xanthen-6-yl benzoate [ACD/IUPAC Name]
Benzoate de 9-{2-[méthoxy(tricyclo[3.3.1.13,7]déc-2-ylidène)méthyl]phényl}-3-oxo-3H-xanthén-6-yle [French] [ACD/IUPAC Name]
Benzoic acid, 9-[2-(adamantan-2-yliden-methoxymethyl)-phenyl]-6-oxo-6H-xanthen-3-yl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 770.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 403.9±20.9 °C
Index of Refraction: 1.691
Molar Refractivity: 162.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.60
ACD/LogD (pH 5.5): 7.99
ACD/BCF (pH 5.5): 692919.06
ACD/KOC (pH 5.5): 527631.31
ACD/LogD (pH 7.4): 7.99
ACD/BCF (pH 7.4): 692919.06
ACD/KOC (pH 7.4): 527631.31
Polar Surface Area: 62 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 424.6±5.0 cm3

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