(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene

• ChemBase ID: 5388
• Molecular Formular: C15H26
• Molecular Mass: 206.36694
• Monoisotopic Mass: 206.20345083
• SMILES: C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
• Canonical SMILES: C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
• InChI: InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,7-8,10-11H2,1-5H3/b14-6+,15-12+
• InChIKey: JXBSHSBNOVLGHF-BUJBXKITSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene
• IUPAC Traditional name: (6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene
• Synonyms: FARNESYL

Database IDs

• PubChem SID: 160968817; 99444223
• PubChem CID: 444108

CALCULATED PROPERTIES

JChem

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4428687
• LogD (pH = 7.4): 5.4428687
• Log P: 5.4428687
• Molar Refractivity: 73.21 cm^3
• Polarizability: 27.76934 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

ALOGPS 2.1

• Log P: 6.08
• LOG S: -3.97
• Solubility (Water): 2.19e-02 g/l

DETAILS

DrugBank - DB07752

Drug information: experimental