4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol

C18H29F3O2Si — CID 169256906

IUPAC4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol
SMILESCc1cc(C(C)(C)CO[Si](C)(C)C(C)(C)C)c(C(F)(F)F)cc1O
InChIInChI=1S/C18H29F3O2Si/c1-12-9-13(14(10-15(12)22)18(19,20)21)17(5,6)11-23-24(7,8)16(2,3)4/h9-10,22H,11H2,1-8H3
InChIKeyKWXZSZVNBASJBQ-UHFFFAOYSA-N
MW362.51 g/mol
LogP6.02
Rot. Bonds4

About 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol

4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol (PubChem CID 169256906) has the molecular formula C18H29F3O2Si and a molecular weight of 362.51 g/mol. Its IUPAC name is 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol
PubChem CID169256906
Molecular FormulaC18H29F3O2Si
Molecular Weight362.51 g/mol
Exact Mass362.19
IUPAC Name4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol
SMILESCc1cc(C(C)(C)CO[Si](C)(C)C(C)(C)C)c(C(F)(F)F)cc1O
InChIInChI=1S/C18H29F3O2Si/c1-12-9-13(14(10-15(12)22)18(19,20)21)17(5,6)11-23-24(7,8)16(2,3)4/h9-10,22H,11H2,1-8H3
InChIKeyKWXZSZVNBASJBQ-UHFFFAOYSA-N
XLogP6.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 56.02
H-Bond Donors ≤ 51
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 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol?
The IUPAC name of 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol (CID 169256906) is 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol?
The canonical SMILES for 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol is Cc1cc(C(C)(C)CO[Si](C)(C)C(C)(C)C)c(C(F)(F)F)cc1O.
What is the InChIKey of 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol?
The InChIKey is KWXZSZVNBASJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F3O2Si/c1-12-9-13(14(10-15(12)22)18(19,20)21)17(5,6)11-23-24(7,8)16(2,3)4/h9-10,22H,11H2,1-8H3.
What are the key properties of 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol?
4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol has a molecular weight of 362.51 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-methyl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 169256906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).