[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol

C16H25F3O3Si — CID 70249613

IUPAC[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCOc1cccc(CO)c1C(F)(F)F
InChIInChI=1S/C16H25F3O3Si/c1-15(2,3)23(4,5)22-10-9-21-13-8-6-7-12(11-20)14(13)16(17,18)19/h6-8,20H,9-11H2,1-5H3
InChIKeyMPFKIGSBOBXBNZ-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.60
Rot. Bonds6

About [3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol

[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol (PubChem CID 70249613) has the molecular formula C16H25F3O3Si and a molecular weight of 350.45 g/mol. Its IUPAC name is [3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol
PubChem CID70249613
Molecular FormulaC16H25F3O3Si
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCOc1cccc(CO)c1C(F)(F)F
InChIInChI=1S/C16H25F3O3Si/c1-15(2,3)23(4,5)22-10-9-21-13-8-6-7-12(11-20)14(13)16(17,18)19/h6-8,20H,9-11H2,1-5H3
InChIKeyMPFKIGSBOBXBNZ-UHFFFAOYSA-N
XLogP4.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol (CID 70249613) is [3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol is CC(C)(C)[Si](C)(C)OCCOc1cccc(CO)c1C(F)(F)F.
What is the InChIKey of [3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is MPFKIGSBOBXBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3O3Si/c1-15(2,3)23(4,5)22-10-9-21-13-8-6-7-12(11-20)14(13)16(17,18)19/h6-8,20H,9-11H2,1-5H3.
What are the key properties of [3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol?
[3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 350.45 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 70249613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).