2,6-dimethoxy-3,7-bis(methylselanyl)naphthalene

• ChemBase ID: 15976
• Molecular Formular: C14H16O2Se2
• Molecular Mass: 374.19564
• Monoisotopic Mass: 375.94807175
• SMILES: c1(c(cc2c(c1)cc(c(c2)[Se]C)OC)OC)[Se]C
• Canonical SMILES: COc1cc2cc([Se]C)c(cc2cc1[Se]C)OC
• InChI: InChI=1S/C14H16O2Se2/c1-15-11-5-9-8-14(18-4)12(16-2)6-10(9)7-13(11)17-3/h5-8H,1-4H3
• InChIKey: LSUFOZNJTWMYAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxy-3,7-bis(methylselanyl)naphthalene
• IUPAC Traditional name: 2,6-dimethoxy-3,7-bis(methylselanyl)naphthalene
• Synonyms: 2,6-Dimethoxy-3,7-bis(methylseleno)-naphthalene

Database IDs

• CAS Number: 136559-37-0
• MDL Number: MFCD06656531
• PubChem SID: 160979283
• PubChem CID: 45075147

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4352
• LogD (pH = 7.4): 2.4352
• Log P: 2.4352
• Molar Refractivity: 91.5952 cm^3
• Polarizability: 26.280542 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%