dimethyl-(oxan-2-yloxymethyl)-(trifluoromethyl)silane

C9H17F3O2Si — CID 153352999

IUPACdimethyl-(oxan-2-yloxymethyl)-(trifluoromethyl)silane
SMILESC[Si](C)(COC1CCCCO1)C(F)(F)F
InChIInChI=1S/C9H17F3O2Si/c1-15(2,9(10,11)12)7-14-8-5-3-4-6-13-8/h8H,3-7H2,1-2H3
InChIKeyYKEFBIGYYKHBNW-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.88
Rot. Bonds3

About dimethyl-(oxan-2-yloxymethyl)-(trifluoromethyl)silane

dimethyl-(oxan-2-yloxymethyl)-(trifluoromethyl)silane (PubChem CID 153352999) has the molecular formula C9H17F3O2Si and a molecular weight of 242.31 g/mol. Its IUPAC name is dimethyl-(oxan-2-yloxymethyl)-(trifluoromethyl)silane.

Molecular Properties

Compound Namedimethyl-(oxan-2-yloxymethyl)-(trifluoromethyl)silane
PubChem CID153352999
Molecular FormulaC9H17F3O2Si
Molecular Weight242.31 g/mol
Exact Mass242.09
IUPAC Namedimethyl-(oxan-2-yloxymethyl)-(trifluoromethyl)silane
SMILESC[Si](C)(COC1CCCCO1)C(F)(F)F
InChIInChI=1S/C9H17F3O2Si/c1-15(2,9(10,11)12)7-14-8-5-3-4-6-13-8/h8H,3-7H2,1-2H3
InChIKeyYKEFBIGYYKHBNW-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.88
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 dimethyl-(oxan-2-yloxymethyl)-(trifluoromethyl)silane?
The IUPAC name of dimethyl-(oxan-2-yloxymethyl)-(trifluoromethyl)silane (CID 153352999) is dimethyl-(oxan-2-yloxymethyl)-(trifluoromethyl)silane.
What is the SMILES notation for dimethyl-(oxan-2-yloxymethyl)-(trifluoromethyl)silane?
The canonical SMILES for dimethyl-(oxan-2-yloxymethyl)-(trifluoromethyl)silane is C[Si](C)(COC1CCCCO1)C(F)(F)F.
What is the InChIKey of dimethyl-(oxan-2-yloxymethyl)-(trifluoromethyl)silane?
The InChIKey is YKEFBIGYYKHBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O2Si/c1-15(2,9(10,11)12)7-14-8-5-3-4-6-13-8/h8H,3-7H2,1-2H3.
What are the key properties of dimethyl-(oxan-2-yloxymethyl)-(trifluoromethyl)silane?
dimethyl-(oxan-2-yloxymethyl)-(trifluoromethyl)silane has a molecular weight of 242.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(oxan-2-yloxymethyl)-(trifluoromethyl)silane is sourced from PubChem (CID 153352999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).