trimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane

C16H25F3O2Si — CID 164897213

IUPACtrimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane
SMILESC[Si](C)(C)OC(CCCCOCc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H25F3O2Si/c1-22(2,3)21-15(16(17,18)19)11-7-8-12-20-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3
InChIKeyZPWRJBDTOUFIKV-UHFFFAOYSA-N
MW334.45 g/mol
LogP5.16
Rot. Bonds9

About trimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane

trimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane (PubChem CID 164897213) has the molecular formula C16H25F3O2Si and a molecular weight of 334.45 g/mol. Its IUPAC name is trimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane.

Molecular Properties

Compound Nametrimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane
PubChem CID164897213
Molecular FormulaC16H25F3O2Si
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Nametrimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane
SMILESC[Si](C)(C)OC(CCCCOCc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H25F3O2Si/c1-22(2,3)21-15(16(17,18)19)11-7-8-12-20-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3
InChIKeyZPWRJBDTOUFIKV-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.45
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane?
The IUPAC name of trimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane (CID 164897213) is trimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane.
What is the SMILES notation for trimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane?
The canonical SMILES for trimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane is C[Si](C)(C)OC(CCCCOCc1ccccc1)C(F)(F)F.
What is the InChIKey of trimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane?
The InChIKey is ZPWRJBDTOUFIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3O2Si/c1-22(2,3)21-15(16(17,18)19)11-7-8-12-20-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3.
What are the key properties of trimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane?
trimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane has a molecular weight of 334.45 g/mol, XLogP of 5.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(1,1,1-trifluoro-6-phenylmethoxyhexan-2-yl)oxysilane is sourced from PubChem (CID 164897213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).