4-propylcyclohexane-1,2-diol; silanone

• ChemBase ID: 138519
• Molecular Formular: C9H20O3Si
• Molecular Mass: 204.3388
• Monoisotopic Mass: 204.11817103
• SMILES: CCCC1CCC(C(C1)O)O.O=[SiH2]
• Canonical SMILES: CCCC1CCC(C(C1)O)O.O=[SiH2]
• InChI: InChI=1S/C9H18O2.H2OSi/c1-2-3-7-4-5-8(10)9(11)6-7;1-2/h7-11H,2-6H2,1H3;2H2
• InChIKey: XHOAPVVBPXXSDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-propylcyclohexane-1,2-diol; silanone
• IUPAC Traditional name: 4-propylcyclohexane-1,2-diol; silicon monoxide
• Synonyms: Cyclohexyldiol-2 functionalized silica gel; 3-(3,4-Cyclohexyldiol)propyl-functionalized silica gel; 环己二醇-2官能化硅胶; 3-(3,4-环己二醇)丙基官能化硅胶

Database IDs

• MDL Number: MFCD03095944
• PubChem SID: 162232774
• PubChem CID: 45052172

CALCULATED PROPERTIES

• Acid pKa: 13.904673
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3819463
• LogD (pH = 7.4): 1.3819462
• Log P: 1.3819463
• Molar Refractivity: 44.3876 cm^3
• Polarizability: 17.8164 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Particle Size: 200-400 mesh
• Pore Size: 60 Å pore size
• Surface Area: 500 m2/g
• Extent of Labeling: 1 mmol/g loading