octadecane; silanone

• ChemBase ID: 147263
• Molecular Formular: C18H40OSi
• Molecular Mass: 300.5951
• Monoisotopic Mass: 300.28484243
• SMILES: CCCCCCCCCCCCCCCCCC.O=[SiH2]
• Canonical SMILES: CCCCCCCCCCCCCCCCCC.[SiH2]=O
• InChI: InChI=1S/C18H38.H2OSi/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2/h3-18H2,1-2H3;2H2
• InChIKey: RZIRKXZVWWLAMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadecane; silanone
• IUPAC Traditional name: octadecane; silicon monoxide
• Synonyms: Octyldecyl-functionalized silica gel; 辛基癸基官能化硅胶

Database IDs

• MDL Number: MFCD03457790
• PubChem SID: 162241453; 24879335
• PubChem CID: 16217125

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.465961
• LogD (pH = 7.4): 8.465961
• Log P: 8.465961
• Molar Refractivity: 84.6202 cm^3
• Polarizability: 33.992607 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Extent of Labeling: 9-12% carbon loading

DETAILS

Sigma Aldrich - 553522

Packaging
100 g in glass bottle