2-methyloxane

• ChemBase ID: 112581
• Molecular Formular: C6H12O
• Molecular Mass: 100.15888
• Monoisotopic Mass: 100.088815
• SMILES: CC1CCCCO1
• Canonical SMILES: CC1CCCCO1
• InChI: InChI=1S/C6H12O/c1-6-4-2-3-5-7-6/h6H,2-5H2,1H3
• InChIKey: YBDQLHBVNXARAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyloxane
• IUPAC Traditional name: methyloxan
• Synonyms: 2-METHYL TETRAHYDROPYRAN

Database IDs

• PubChem SID: 162106706
• PubChem CID: 139099

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3914906
• LogD (pH = 7.4): 1.3914906
• Log P: 1.3914906
• Molar Refractivity: 29.5733 cm^3
• Polarizability: 11.74312 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224721

MP Biomedicals Rare Chemical collection