gold(1+);2-methylpropanoate;triphenylphosphanium

C22H23AuO2P+ — CID 171041011

IUPACgold(1+);2-methylpropanoate;triphenylphosphanium
SMILESCC(C)C(=O)[O-].[Au+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C4H8O2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3(2)4(5)6;/h1-15H;3H,1-2H3,(H,5,6);/q;;+1
InChIKeyHPVDBHJQEAJDFN-UHFFFAOYSA-N
MW547.37 g/mol
LogP2.57
Rot. Bonds4

About gold(1+);2-methylpropanoate;triphenylphosphanium

gold(1+);2-methylpropanoate;triphenylphosphanium (PubChem CID 171041011) has the molecular formula C22H23AuO2P+ and a molecular weight of 547.37 g/mol. Its IUPAC name is gold(1+);2-methylpropanoate;triphenylphosphanium.

Molecular Properties

Compound Namegold(1+);2-methylpropanoate;triphenylphosphanium
PubChem CID171041011
Molecular FormulaC22H23AuO2P+
Molecular Weight547.37 g/mol
Exact Mass547.11
IUPAC Namegold(1+);2-methylpropanoate;triphenylphosphanium
SMILESCC(C)C(=O)[O-].[Au+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C4H8O2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3(2)4(5)6;/h1-15H;3H,1-2H3,(H,5,6);/q;;+1
InChIKeyHPVDBHJQEAJDFN-UHFFFAOYSA-N
XLogP2.57
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of gold(1+);2-methylpropanoate;triphenylphosphanium?
The IUPAC name of gold(1+);2-methylpropanoate;triphenylphosphanium (CID 171041011) is gold(1+);2-methylpropanoate;triphenylphosphanium.
What is the SMILES notation for gold(1+);2-methylpropanoate;triphenylphosphanium?
The canonical SMILES for gold(1+);2-methylpropanoate;triphenylphosphanium is CC(C)C(=O)[O-].[Au+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of gold(1+);2-methylpropanoate;triphenylphosphanium?
The InChIKey is HPVDBHJQEAJDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C4H8O2.Au/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3(2)4(5)6;/h1-15H;3H,1-2H3,(H,5,6);/q;;+1.
What are the key properties of gold(1+);2-methylpropanoate;triphenylphosphanium?
gold(1+);2-methylpropanoate;triphenylphosphanium has a molecular weight of 547.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);2-methylpropanoate;triphenylphosphanium is sourced from PubChem (CID 171041011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).