(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene

• ChemBase ID: 2754
• Molecular Formular: C20H34
• Molecular Mass: 274.48396
• Monoisotopic Mass: 274.26605109
• SMILES: C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
• Canonical SMILES: C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C
• InChI: InChI=1S/C20H34/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11,14-15H,8-10,12-13,16H2,1-6H3/b18-7+,19-15+,20-14+
• InChIKey: HSOYJGBJQAKCNA-CAIKYXSQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene
• IUPAC Traditional name: @geran-8-yl geran
• Synonyms: Geran-8-Yl Geran

Database IDs

• PubChem SID: 46508517; 160966202
• PubChem CID: 446073

CALCULATED PROPERTIES

JChem

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.102583
• LogD (pH = 7.4): 7.102583
• Log P: 7.102583
• Molar Refractivity: 97.0126 cm^3
• Polarizability: 36.77575 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

ALOGPS 2.1

• Log P: 7.18
• LOG S: -4.97
• Solubility (Water): 2.97e-03 g/l

DETAILS

DrugBank - DB03050

Drug information: experimental