ChemSpider 2D Image | (1R,4R)-7-Isobutyl-1-(4-isobutylphenyl)-1,2,3,4-tetrahydro-1,4-naphthalenedicarboxylic acid | C26H32O4

(1R,4R)-7-Isobutyl-1-(4-isobutylphenyl)-1,2,3,4-tetrahydro-1,4-naphthalenedicarboxylic acid

  • Molecular FormulaC26H32O4
  • Average mass408.530 Da
  • Monoisotopic mass408.230072 Da
  • ChemSpider ID27524691

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,4R)-7-Isobutyl-1-(4-isobutylphenyl)-1,2,3,4-tetrahydro-1,4-naphthalenedicarboxylic acid [ACD/IUPAC Name]
(1R,4R)-7-Isobutyl-1-(4-isobutylphenyl)-1,2,3,4-tetrahydro-1,4-naphthalindicarbonsäure [German] [ACD/IUPAC Name]
1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-7-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]-, (1R,4R)- [ACD/Index Name]
1391054-15-1 [RN]
7-(2-METHYLPROPYL)-1-(4-(2-METHYLPROPYL)PHENYL)-1,2,3,4-TETRAHYDRONAPHTHALENE-1,4-DICARBOXYLIC ACID
Acide (1R,4R)-7-isobutyl-1-(4-isobutylphényl)-1,2,3,4-tétrahydro-1,4-naphtalènedicarboxylique [French] [ACD/IUPAC Name]
(1R,4R)-6-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]-2,3-dihydro-1H-naphthalene-1,4-dicarboxylic acid
(1R,4R)-7-isobutyl-1-(4-isobutylphenyl)tetralin-1,4-dicarboxylic acid
(1RS,4RS)-7-(2-Methylpropyl)-1-[4-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylic Acid
(1RS,4RS)-7-(2-Methylpropyl)-1-[4-(2-methylpropyl)phenyl]-1,2,3,4-tetrahydro-naphthalene-1,4-dicarboxylic Acid

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

UNII:YH5RAY1N4B [DBID]
YH5RAY1N4B [DBID]
UNII-YH5RAY1N4B [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: 541.4±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 295.3±23.6 °C
Index of Refraction: 1.572
Molar Refractivity: 117.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 207.59
ACD/KOC (pH 5.5): 386.73
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 75 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 355.8±3.0 cm3

Click to predict properties on the Chemicalize site


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