ChemSpider 2D Image | MP5366666 | C45H74O

MP5366666

  • Molecular FormulaC45H74O
  • Average mass631.068 Da
  • Monoisotopic mass630.573975 Da
  • ChemSpider ID4585196

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
The Merck Index Online

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

(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-ol [ACD/IUPAC Name]
(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaen-1-ol [German] [ACD/IUPAC Name]
(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonaméthyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaén-1-ol [French] [ACD/IUPAC Name]
(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol
13190-97-1 [RN]
2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (2E,6E,10E,14E,18E,22E,26E,30E)- [ACD/Index Name]
FF31XTR2N4
MFCD00070279 [MDL number]
MP5366666
Nonaisoprenol
More...

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

NSC299938 [DBID]
S8754_SIGMA [DBID]
SDCCGMLS-0066857.P001 [DBID]
  • Miscellaneous

    • Appearance:

      solid OU Chemical Safety Data (No longer updated) More details

    • Stability:

      Stable, but may be heat sensitive - store cold.Combustible. Incompatible with strong oxidizing agents. OU Chemical Safety Data (No longer updated) More details

    • Toxicity:

      IPR-MUS LD50 > 4000 mg kg-1 OU Chemical Safety Data (No longer updated) More details

    • Safety:

      Handle with caution. OU Chemical Safety Data (No longer updated) More details

    • Chemical Class:

      A nonaprenol that is hexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol substituted by 9 methyl groups at positions 3, 7, 11, 15, 19, 23, 27, 31 and 35 (the <ital>all</ital>-<stereo>trans</stereo>0ste reoisomer). ChEBI CHEBI:26718
      A nonaprenol that is hexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol substituted by 9 methyl groups at positions 3, 7, 11, 15, 19, 23, 27, 31 and 35 (the all-trans0ste; reoisomer). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:26718
      A nonaprenol that is hexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol substituted by 9 methyl groups at positions 3, 7, 11, 15, 19, 23, 27, 31 and 35 (the all-trans0stereoisomer). ChEBI CHEBI:26718

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

Density: 0.9±0.1 g/cm3
Boiling Point: 685.6±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±6.0 kJ/mol
Flash Point: 130.3±19.2 °C
Index of Refraction: 1.507
Molar Refractivity: 211.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 17.52
ACD/LogD (pH 5.5): 15.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 32.2±3.0 dyne/cm
Molar Volume: 709.6±3.0 cm3

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