methoxy-dimethyl-[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butyl]silane

C9H16F6O2Si — CID 21365448

IUPACmethoxy-dimethyl-[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butyl]silane
SMILESCOC(CC[Si](C)(C)OC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H16F6O2Si/c1-16-7(8(10,11)12,9(13,14)15)5-6-18(3,4)17-2/h5-6H2,1-4H3
InChIKeyCGCJYDUDJSIQKQ-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.74
Rot. Bonds5

About methoxy-dimethyl-[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butyl]silane

methoxy-dimethyl-[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butyl]silane (PubChem CID 21365448) has the molecular formula C9H16F6O2Si and a molecular weight of 298.30 g/mol. Its IUPAC name is methoxy-dimethyl-[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butyl]silane.

Molecular Properties

Compound Namemethoxy-dimethyl-[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butyl]silane
PubChem CID21365448
Molecular FormulaC9H16F6O2Si
Molecular Weight298.30 g/mol
Exact Mass298.08
IUPAC Namemethoxy-dimethyl-[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butyl]silane
SMILESCOC(CC[Si](C)(C)OC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H16F6O2Si/c1-16-7(8(10,11)12,9(13,14)15)5-6-18(3,4)17-2/h5-6H2,1-4H3
InChIKeyCGCJYDUDJSIQKQ-UHFFFAOYSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-dimethyl-[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butyl]silane?
The IUPAC name of methoxy-dimethyl-[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butyl]silane (CID 21365448) is methoxy-dimethyl-[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butyl]silane.
What is the SMILES notation for methoxy-dimethyl-[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butyl]silane?
The canonical SMILES for methoxy-dimethyl-[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butyl]silane is COC(CC[Si](C)(C)OC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of methoxy-dimethyl-[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butyl]silane?
The InChIKey is CGCJYDUDJSIQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F6O2Si/c1-16-7(8(10,11)12,9(13,14)15)5-6-18(3,4)17-2/h5-6H2,1-4H3.
What are the key properties of methoxy-dimethyl-[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butyl]silane?
methoxy-dimethyl-[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butyl]silane has a molecular weight of 298.30 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-dimethyl-[4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butyl]silane is sourced from PubChem (CID 21365448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).