ethyl 2,5,9-trimethyldeca-4,8-dienoate

• ChemBase ID: 110527
• Molecular Formular: C15H26O2
• Molecular Mass: 238.36574
• Monoisotopic Mass: 238.19328007
• SMILES: CCOC(=O)C(C)C/C=C(\C)/CCC=C(C)C
• Canonical SMILES: CCOC(=O)C(C/C=C(/CCC=C(C)C)\C)C
• InChI: InChI=1S/C15H26O2/c1-6-17-15(16)14(5)11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3
• InChIKey: RIULHFTVTXJPAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2,5,9-trimethyldeca-4,8-dienoate
• IUPAC Traditional name: ethyl 2,5,9-trimethyldeca-4,8-dienoate
• Synonyms: GERANYLMETHYLETHYLACETATE

Database IDs

• CAS Number: 68705-63-5
• PubChem SID: 162095965
• PubChem CID: 13309800

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3977385
• LogD (pH = 7.4): 4.3977385
• Log P: 4.3977385
• Molar Refractivity: 74.367 cm^3
• Polarizability: 28.65341 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05215408

MP Biomedicals Rare Chemical collection