1,1-dimethoxyhex-2-ene

• ChemBase ID: 110646
• Molecular Formular: C8H16O2
• Molecular Mass: 144.21144
• Monoisotopic Mass: 144.11502975
• SMILES: CCC/C=C/C(OC)OC
• Canonical SMILES: CCC/C=C/C(OC)OC
• InChI: InChI=1S/C8H16O2/c1-4-5-6-7-8(9-2)10-3/h6-8H,4-5H2,1-3H3
• InChIKey: OSVRJMZINDGZFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dimethoxyhex-2-ene
• IUPAC Traditional name: 1,1-dimethoxyhex-2-ene
• Synonyms: trans-2-HEXENAL DIMETHYLACETAL

Database IDs

• CAS Number: 18318-83-7
• PubChem SID: 162089255
• PubChem CID: 6436486

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.410474
• LogD (pH = 7.4): 2.410474
• Log P: 2.410474
• Molar Refractivity: 42.8318 cm^3
• Polarizability: 16.60571 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05215812

MP Biomedicals Rare Chemical collection