tert-butyl-methyl-phenylphosphane;gold(1+);pyridine;perchlorate

C16H22AuClNO4P — CID 162180687

IUPACtert-butyl-methyl-phenylphosphane;gold(1+);pyridine;perchlorate
SMILESCP(c1ccccc1)C(C)(C)C.[Au+].[O-][Cl+3]([O-])([O-])[O-].c1ccncc1
InChIInChI=1S/C11H17P.C5H5N.Au.ClHO4/c1-11(2,3)12(4)10-8-6-5-7-9-10;1-2-4-6-5-3-1;;2-1(3,4)5/h5-9H,1-4H3;1-5H;;(H,2,3,4,5)/q;;+1;/p-1
InChIKeyZOYYRIDMIBAQEP-UHFFFAOYSA-M
MW555.75 g/mol
LogP-0.45
Rot. Bonds1

About tert-butyl-methyl-phenylphosphane;gold(1+);pyridine;perchlorate

tert-butyl-methyl-phenylphosphane;gold(1+);pyridine;perchlorate (PubChem CID 162180687) has the molecular formula C16H22AuClNO4P and a molecular weight of 555.75 g/mol. Its IUPAC name is tert-butyl-methyl-phenylphosphane;gold(1+);pyridine;perchlorate.

Molecular Properties

Compound Nametert-butyl-methyl-phenylphosphane;gold(1+);pyridine;perchlorate
PubChem CID162180687
Molecular FormulaC16H22AuClNO4P
Molecular Weight555.75 g/mol
Exact Mass555.06
IUPAC Nametert-butyl-methyl-phenylphosphane;gold(1+);pyridine;perchlorate
SMILESCP(c1ccccc1)C(C)(C)C.[Au+].[O-][Cl+3]([O-])([O-])[O-].c1ccncc1
InChIInChI=1S/C11H17P.C5H5N.Au.ClHO4/c1-11(2,3)12(4)10-8-6-5-7-9-10;1-2-4-6-5-3-1;;2-1(3,4)5/h5-9H,1-4H3;1-5H;;(H,2,3,4,5)/q;;+1;/p-1
InChIKeyZOYYRIDMIBAQEP-UHFFFAOYSA-M
XLogP-0.45
TPSA105.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.75
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-methyl-phenylphosphane;gold(1+);pyridine;perchlorate?
The IUPAC name of tert-butyl-methyl-phenylphosphane;gold(1+);pyridine;perchlorate (CID 162180687) is tert-butyl-methyl-phenylphosphane;gold(1+);pyridine;perchlorate.
What is the SMILES notation for tert-butyl-methyl-phenylphosphane;gold(1+);pyridine;perchlorate?
The canonical SMILES for tert-butyl-methyl-phenylphosphane;gold(1+);pyridine;perchlorate is CP(c1ccccc1)C(C)(C)C.[Au+].[O-][Cl+3]([O-])([O-])[O-].c1ccncc1.
What is the InChIKey of tert-butyl-methyl-phenylphosphane;gold(1+);pyridine;perchlorate?
The InChIKey is ZOYYRIDMIBAQEP-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H17P.C5H5N.Au.ClHO4/c1-11(2,3)12(4)10-8-6-5-7-9-10;1-2-4-6-5-3-1;;2-1(3,4)5/h5-9H,1-4H3;1-5H;;(H,2,3,4,5)/q;;+1;/p-1.
What are the key properties of tert-butyl-methyl-phenylphosphane;gold(1+);pyridine;perchlorate?
tert-butyl-methyl-phenylphosphane;gold(1+);pyridine;perchlorate has a molecular weight of 555.75 g/mol, XLogP of -0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-methyl-phenylphosphane;gold(1+);pyridine;perchlorate is sourced from PubChem (CID 162180687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).