2,6-dimethyl-2-(4-methylpent-4-en-1-yl)oxane

• ChemBase ID: 185036
• Molecular Formular: C13H24O
• Molecular Mass: 196.32906
• Monoisotopic Mass: 196.18271539
• SMILES: O1C(CCCC(=C)C)(CCCC1C)C
• Canonical SMILES: CC(=C)CCCC1(C)CCCC(O1)C
• InChI: InChI=1S/C13H24O/c1-11(2)7-5-9-13(4)10-6-8-12(3)14-13/h12H,1,5-10H2,2-4H3
• InChIKey: WKWXANFAUCCESX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-2-(4-methylpent-4-en-1-yl)oxane
• IUPAC Traditional name: 2,6-dimethyl-2-(4-methylpent-4-en-1-yl)oxane

Database IDs

• PubChem SID: 164240946
• PubChem CID: 4587424

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.884244
• LogD (pH = 7.4): 3.884244
• Log P: 3.884244
• Molar Refractivity: 61.2834 cm^3
• Polarizability: 24.423239 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Rare Derivatives of Natural Compounds