3-methyl-2-(3-methylbut-2-en-1-yl)furan

• ChemBase ID: 129302
• Molecular Formular: C10H14O
• Molecular Mass: 150.21756
• Monoisotopic Mass: 150.10446507
• SMILES: o1c(c(cc1)C)CC=C(C)C
• Canonical SMILES: CC(=CCc1occc1C)C
• InChI: InChI=1S/C10H14O/c1-8(2)4-5-10-9(3)6-7-11-10/h4,6-7H,5H2,1-3H3
• InChIKey: UTSGPHXOHJSDBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-2-(3-methylbut-2-en-1-yl)furan
• IUPAC Traditional name: rosefuran
• Synonyms: 3-methyl-2-prenylfuran; 2-(3-Methyl-2-butenyl)-3-methylfuran; Rosefuran

Database IDs

• CAS Number: 15186-51-3
• PubChem SID: 162223596
• PubChem CID: 84825
• Chemspider ID: 76521
• Wikipedia Title: Rosefuran

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1195734
• LogD (pH = 7.4): 3.1195734
• Log P: 3.1195734
• Molar Refractivity: 47.8869 cm^3
• Polarizability: 17.930471 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: colorless liquid
• Boiling Point: 103-104 °C @50 mm Hg
• Flash Point: 144.00 °F
• Density: 0.9089 @30 °C