4-methyl-2-(2,5,9-trimethyldeca-3,4,8-trien-2-yl)-1,3-dioxane

• ChemBase ID: 181813
• Molecular Formular: C18H30O2
• Molecular Mass: 278.4296
• Monoisotopic Mass: 278.2245802
• SMILES: C1(OC(CCO1)C)C(C=C=C(CCC=C(C)C)C)(C)C
• Canonical SMILES: CC1CCOC(O1)C(C=C=C(CCC=C(C)C)C)(C)C
• InChI: InChI=1S/C18H30O2/c1-14(2)8-7-9-15(3)10-12-18(5,6)17-19-13-11-16(4)20-17/h8,12,16-17H,7,9,11,13H2,1-6H3
• InChIKey: HBRPOZMVZKEUDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(2,5,9-trimethyldeca-3,4,8-trien-2-yl)-1,3-dioxane
• IUPAC Traditional name: 4-methyl-2-(2,5,9-trimethyldeca-3,4,8-trien-2-yl)-1,3-dioxane

Database IDs

• PubChem SID: 164237723
• PubChem CID: 4462150

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.997979
• LogD (pH = 7.4): 4.997979
• Log P: 4.997979
• Molar Refractivity: 86.936 cm^3
• Polarizability: 33.525955 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds