ChemSpider 2D Image | MFCD10567365 | C15H26O2

MFCD10567365

  • Molecular FormulaC15H26O2
  • Average mass238.366 Da
  • Monoisotopic mass238.193283 Da
  • ChemSpider ID28296295

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,6S)-2,2,6-Trimethyl-6-[(1S)-4-methyl-3-cyclohexen-1-yl]tetrahydro-2H-pyran-3-ol [German] [ACD/IUPAC Name]
(3S,6S)-2,2,6-Trimethyl-6-[(1S)-4-methyl-3-cyclohexen-1-yl]tetrahydro-2H-pyran-3-ol [ACD/IUPAC Name]
(3S,6S)-2,2,6-Triméthyl-6-[(1S)-4-méthyl-3-cyclohexén-1-yl]tétrahydro-2H-pyran-3-ol [French] [ACD/IUPAC Name]
(3S,6S)-Tetrahydro-2,2,6-trimethyl-6-[(1S)-4-methyl-3-cyclohexen-1-yl]-2H-pyran-3-ol
245-086-2 [EINECS]
2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-[(1S)-4-methyl-3-cyclohexen-1-yl]-, (3S,6S)- [ACD/Index Name]
Bisabolol oxide A
MFCD10567365
(3S,6S)-2,2,6-trimethyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]oxan-3-ol
2H-Pyran-3-ol,tetrahydro-2,2,6-trimethyl-6-[(1S)-4-methyl-3-cyclohexen-1-yl]-, (3S,6S)-
More...

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

16AE65F94Y [DBID]
UNII:16AE65F94Y [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 327.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.1±6.0 kJ/mol
Flash Point: 125.9±22.1 °C
Index of Refraction: 1.490
Molar Refractivity: 70.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 496.58
ACD/KOC (pH 5.5): 2960.71
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 496.58
ACD/KOC (pH 7.4): 2960.71
Polar Surface Area: 29 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 33.0±3.0 dyne/cm
Molar Volume: 242.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement