ChemSpider 2D Image | 4-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hexanone | C29H48O7

4-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hexanone

  • Molecular FormulaC29H48O7
  • Average mass508.687 Da
  • Monoisotopic mass508.339996 Da
  • ChemSpider ID2337739

More details:

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

3-Hexanone, 4-[2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]- [ACD/Index Name]
4-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hexanon [German] [ACD/IUPAC Name]
4-[2-(5-Ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hexanone [ACD/IUPAC Name]
4-[2-(5-Éthyl-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl)-15-hydroxy-2,10,12-triméthyl-1,6,8-trioxadispiro[4.1.5.3]pentadéc-13-én-9-yl]-3-hexanone [French] [ACD/IUPAC Name]
126454-05-5 [RN]
3-Hexanone, 4-(2-(5-ethyltetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro(4.1.5.3)pentadec-13-en-9-yl)-
3-HEXANONE,4-[2-(5-ETHYLTETRAHYDRO-5-HYDROXY-6-METHYL-2H-PYRAN-2-YL)-15-HYDROXY-2,10,12-TRIMETHYL-1,6,8-TRIOXADISPIRO[4.1.5.3]PENTADEC-13-EN-9-YL]-

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

BRN 4603272 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 625.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.1±6.0 kJ/mol
Flash Point: 196.2±25.0 °C
Index of Refraction: 1.536
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1612.26
ACD/KOC (pH 5.5): 6878.29
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1612.26
ACD/KOC (pH 7.4): 6878.28
Polar Surface Area: 94 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 442.6±5.0 cm3

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