bis[(2,3-dimethylphenyl)silyl]phosphinic acid

C16H23O2PSi2 — CID 173270331

IUPACbis[(2,3-dimethylphenyl)silyl]phosphinic acid
SMILESCc1cccc([SiH2]P(=O)(O)[SiH2]c2cccc(C)c2C)c1C
InChIInChI=1S/C16H23O2PSi2/c1-11-7-5-9-15(13(11)3)20-19(17,18)21-16-10-6-8-12(2)14(16)4/h5-10H,20-21H2,1-4H3,(H,17,18)
InChIKeyXLKHLTUOHKRASO-UHFFFAOYSA-N
MW334.50 g/mol
LogP1.31
Rot. Bonds4

About bis[(2,3-dimethylphenyl)silyl]phosphinic acid

bis[(2,3-dimethylphenyl)silyl]phosphinic acid (PubChem CID 173270331) has the molecular formula C16H23O2PSi2 and a molecular weight of 334.50 g/mol. Its IUPAC name is bis[(2,3-dimethylphenyl)silyl]phosphinic acid.

Molecular Properties

Compound Namebis[(2,3-dimethylphenyl)silyl]phosphinic acid
PubChem CID173270331
Molecular FormulaC16H23O2PSi2
Molecular Weight334.50 g/mol
Exact Mass334.10
IUPAC Namebis[(2,3-dimethylphenyl)silyl]phosphinic acid
SMILESCc1cccc([SiH2]P(=O)(O)[SiH2]c2cccc(C)c2C)c1C
InChIInChI=1S/C16H23O2PSi2/c1-11-7-5-9-15(13(11)3)20-19(17,18)21-16-10-6-8-12(2)14(16)4/h5-10H,20-21H2,1-4H3,(H,17,18)
InChIKeyXLKHLTUOHKRASO-UHFFFAOYSA-N
XLogP1.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 51.31
H-Bond Donors ≤ 51
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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Related Compounds

phosphoric acid;tris(1,2,3-trimethylbenzene)
CID 175926272
(2,3-dimethylphenyl)-[2-(2,3-dimethylphenyl)silylethyl]silane
CID 173345555
1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene
CID 118862460
benzene;(2,3-dimethylphenyl)-[1-(2,3-dimethylphenyl)silylethyl]silane
CID 173345875
phosphenous acid;1,2,3-trimethylbenzene
CID 174913168
benzene;1,2,3-trimethylbenzene
CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
methylsulfinylmethane;1,2,3-trimethylbenzene
CID 174947389
(2-amino-3-methylphenyl)phosphonic acid
CID 19089383
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906
methane;1,2,3-trimethylbenzene;1,2-xylene
CID 157250417

Frequently Asked Questions

What is the IUPAC name of bis[(2,3-dimethylphenyl)silyl]phosphinic acid?
The IUPAC name of bis[(2,3-dimethylphenyl)silyl]phosphinic acid (CID 173270331) is bis[(2,3-dimethylphenyl)silyl]phosphinic acid.
What is the SMILES notation for bis[(2,3-dimethylphenyl)silyl]phosphinic acid?
The canonical SMILES for bis[(2,3-dimethylphenyl)silyl]phosphinic acid is Cc1cccc([SiH2]P(=O)(O)[SiH2]c2cccc(C)c2C)c1C.
What is the InChIKey of bis[(2,3-dimethylphenyl)silyl]phosphinic acid?
The InChIKey is XLKHLTUOHKRASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23O2PSi2/c1-11-7-5-9-15(13(11)3)20-19(17,18)21-16-10-6-8-12(2)14(16)4/h5-10H,20-21H2,1-4H3,(H,17,18).
What are the key properties of bis[(2,3-dimethylphenyl)silyl]phosphinic acid?
bis[(2,3-dimethylphenyl)silyl]phosphinic acid has a molecular weight of 334.50 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2,3-dimethylphenyl)silyl]phosphinic acid is sourced from PubChem (CID 173270331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).