3,4-dimethyl-5-trimethylsilylphenol

C11H18OSi — CID 56973184

IUPAC3,4-dimethyl-5-trimethylsilylphenol
SMILESCc1cc(O)cc([Si](C)(C)C)c1C
InChIInChI=1S/C11H18OSi/c1-8-6-10(12)7-11(9(8)2)13(3,4)5/h6-7,12H,1-5H3
InChIKeyPGYMLUSFCSFZGQ-UHFFFAOYSA-N
MW194.35 g/mol
LogP2.55
Rot. Bonds1

About 3,4-dimethyl-5-trimethylsilylphenol

3,4-dimethyl-5-trimethylsilylphenol (PubChem CID 56973184) has the molecular formula C11H18OSi and a molecular weight of 194.35 g/mol. Its IUPAC name is 3,4-dimethyl-5-trimethylsilylphenol.

Molecular Properties

Compound Name3,4-dimethyl-5-trimethylsilylphenol
PubChem CID56973184
Molecular FormulaC11H18OSi
Molecular Weight194.35 g/mol
Exact Mass194.11
IUPAC Name3,4-dimethyl-5-trimethylsilylphenol
SMILESCc1cc(O)cc([Si](C)(C)C)c1C
InChIInChI=1S/C11H18OSi/c1-8-6-10(12)7-11(9(8)2)13(3,4)5/h6-7,12H,1-5H3
InChIKeyPGYMLUSFCSFZGQ-UHFFFAOYSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,4-dimethyl-5-trimethylsilylphenol?
The IUPAC name of 3,4-dimethyl-5-trimethylsilylphenol (CID 56973184) is 3,4-dimethyl-5-trimethylsilylphenol.
What is the SMILES notation for 3,4-dimethyl-5-trimethylsilylphenol?
The canonical SMILES for 3,4-dimethyl-5-trimethylsilylphenol is Cc1cc(O)cc([Si](C)(C)C)c1C.
What is the InChIKey of 3,4-dimethyl-5-trimethylsilylphenol?
The InChIKey is PGYMLUSFCSFZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OSi/c1-8-6-10(12)7-11(9(8)2)13(3,4)5/h6-7,12H,1-5H3.
What are the key properties of 3,4-dimethyl-5-trimethylsilylphenol?
3,4-dimethyl-5-trimethylsilylphenol has a molecular weight of 194.35 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-trimethylsilylphenol is sourced from PubChem (CID 56973184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).