tert-butyl-methyl-[2-(2-trimethylsilyloxyphenyl)phenyl]phosphane

C20H29OPSi — CID 53344453

IUPACtert-butyl-methyl-[2-(2-trimethylsilyloxyphenyl)phenyl]phosphane
SMILESCP(c1ccccc1-c1ccccc1O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C20H29OPSi/c1-20(2,3)22(4)19-15-11-9-13-17(19)16-12-8-10-14-18(16)21-23(5,6)7/h8-15H,1-7H3
InChIKeyVUBLIYNBYOQXBY-UHFFFAOYSA-N
MW344.51 g/mol
LogP6.10
Rot. Bonds4

About tert-butyl-methyl-[2-(2-trimethylsilyloxyphenyl)phenyl]phosphane

tert-butyl-methyl-[2-(2-trimethylsilyloxyphenyl)phenyl]phosphane (PubChem CID 53344453) has the molecular formula C20H29OPSi and a molecular weight of 344.51 g/mol. Its IUPAC name is tert-butyl-methyl-[2-(2-trimethylsilyloxyphenyl)phenyl]phosphane.

Molecular Properties

Compound Nametert-butyl-methyl-[2-(2-trimethylsilyloxyphenyl)phenyl]phosphane
PubChem CID53344453
Molecular FormulaC20H29OPSi
Molecular Weight344.51 g/mol
Exact Mass344.17
IUPAC Nametert-butyl-methyl-[2-(2-trimethylsilyloxyphenyl)phenyl]phosphane
SMILESCP(c1ccccc1-c1ccccc1O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C20H29OPSi/c1-20(2,3)22(4)19-15-11-9-13-17(19)16-12-8-10-14-18(16)21-23(5,6)7/h8-15H,1-7H3
InChIKeyVUBLIYNBYOQXBY-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.51
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-methyl-[2-(2-trimethylsilyloxyphenyl)phenyl]phosphane?
The IUPAC name of tert-butyl-methyl-[2-(2-trimethylsilyloxyphenyl)phenyl]phosphane (CID 53344453) is tert-butyl-methyl-[2-(2-trimethylsilyloxyphenyl)phenyl]phosphane.
What is the SMILES notation for tert-butyl-methyl-[2-(2-trimethylsilyloxyphenyl)phenyl]phosphane?
The canonical SMILES for tert-butyl-methyl-[2-(2-trimethylsilyloxyphenyl)phenyl]phosphane is CP(c1ccccc1-c1ccccc1O[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of tert-butyl-methyl-[2-(2-trimethylsilyloxyphenyl)phenyl]phosphane?
The InChIKey is VUBLIYNBYOQXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29OPSi/c1-20(2,3)22(4)19-15-11-9-13-17(19)16-12-8-10-14-18(16)21-23(5,6)7/h8-15H,1-7H3.
What are the key properties of tert-butyl-methyl-[2-(2-trimethylsilyloxyphenyl)phenyl]phosphane?
tert-butyl-methyl-[2-(2-trimethylsilyloxyphenyl)phenyl]phosphane has a molecular weight of 344.51 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-methyl-[2-(2-trimethylsilyloxyphenyl)phenyl]phosphane is sourced from PubChem (CID 53344453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).