3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol

C13H22O2Si — CID 91727610

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol
SMILESCc1cc(O)cc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C13H22O2Si/c1-10-7-11(14)9-12(8-10)15-16(5,6)13(2,3)4/h7-9,14H,1-6H3
InChIKeyHUNAIDKYDXJVLW-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.08
Rot. Bonds2

About 3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol

3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol (PubChem CID 91727610) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol
PubChem CID91727610
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol
SMILESCc1cc(O)cc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C13H22O2Si/c1-10-7-11(14)9-12(8-10)15-16(5,6)13(2,3)4/h7-9,14H,1-6H3
InChIKeyHUNAIDKYDXJVLW-UHFFFAOYSA-N
XLogP4.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.08
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 3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol (CID 91727610) is 3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol is Cc1cc(O)cc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol?
The InChIKey is HUNAIDKYDXJVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-10-7-11(14)9-12(8-10)15-16(5,6)13(2,3)4/h7-9,14H,1-6H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol?
3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol has a molecular weight of 238.40 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol is sourced from PubChem (CID 91727610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).