[(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid

C15H27O4PSi — CID 173207297

IUPAC[(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid
SMILESCc1cc(C(O[SiH](C)C)P(=O)(O)O)cc(C)c1C(C)(C)C
InChIInChI=1S/C15H27O4PSi/c1-10-8-12(9-11(2)13(10)15(3,4)5)14(19-21(6)7)20(16,17)18/h8-9,14,21H,1-7H3,(H2,16,17,18)
InChIKeyQQSIKCHTZFSYRZ-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.78
Rot. Bonds4

About [(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid

[(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid (PubChem CID 173207297) has the molecular formula C15H27O4PSi and a molecular weight of 330.44 g/mol. Its IUPAC name is [(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid.

Molecular Properties

Compound Name[(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid
PubChem CID173207297
Molecular FormulaC15H27O4PSi
Molecular Weight330.44 g/mol
Exact Mass330.14
IUPAC Name[(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid
SMILESCc1cc(C(O[SiH](C)C)P(=O)(O)O)cc(C)c1C(C)(C)C
InChIInChI=1S/C15H27O4PSi/c1-10-8-12(9-11(2)13(10)15(3,4)5)14(19-21(6)7)20(16,17)18/h8-9,14,21H,1-7H3,(H2,16,17,18)
InChIKeyQQSIKCHTZFSYRZ-UHFFFAOYSA-N
XLogP3.78
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid?
The IUPAC name of [(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid (CID 173207297) is [(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid.
What is the SMILES notation for [(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid?
The canonical SMILES for [(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid is Cc1cc(C(O[SiH](C)C)P(=O)(O)O)cc(C)c1C(C)(C)C.
What is the InChIKey of [(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid?
The InChIKey is QQSIKCHTZFSYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27O4PSi/c1-10-8-12(9-11(2)13(10)15(3,4)5)14(19-21(6)7)20(16,17)18/h8-9,14,21H,1-7H3,(H2,16,17,18).
What are the key properties of [(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid?
[(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid has a molecular weight of 330.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-tert-butyl-3,5-dimethylphenyl)-dimethylsilyloxymethyl]phosphonic acid is sourced from PubChem (CID 173207297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).