acetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium

C13H32N2O7PdSi — CID 139211644

IUPACacetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium
SMILESCC(=O)O.CC(=O)O.CCN(CC)CCNCCC[Si](O)(O)O.[Pd]
InChIInChI=1S/C9H24N2O3Si.2C2H4O2.Pd/c1-3-11(4-2)8-7-10-6-5-9-15(12,13)14;2*1-2(3)4;/h10,12-14H,3-9H2,1-2H3;2*1H3,(H,3,4);
InChIKeyQIUZSUGLVFAXQB-UHFFFAOYSA-N
MW462.91 g/mol
LogP-0.60
Rot. Bonds9

About acetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium

acetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium (PubChem CID 139211644) has the molecular formula C13H32N2O7PdSi and a molecular weight of 462.91 g/mol. Its IUPAC name is acetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium.

Molecular Properties

Compound Nameacetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium
PubChem CID139211644
Molecular FormulaC13H32N2O7PdSi
Molecular Weight462.91 g/mol
Exact Mass462.10
IUPAC Nameacetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium
SMILESCC(=O)O.CC(=O)O.CCN(CC)CCNCCC[Si](O)(O)O.[Pd]
InChIInChI=1S/C9H24N2O3Si.2C2H4O2.Pd/c1-3-11(4-2)8-7-10-6-5-9-15(12,13)14;2*1-2(3)4;/h10,12-14H,3-9H2,1-2H3;2*1H3,(H,3,4);
InChIKeyQIUZSUGLVFAXQB-UHFFFAOYSA-N
XLogP-0.60
TPSA150.56 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.91
LogP ≤ 5-0.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(diethylamino)ethylamino]propanoic acid
CID 28830296
N-(3-trihydroxysilylpropyl)butan-1-amine
CID 87400423
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N',N'-diethyl-N-(3-phenylpropyl)ethane-1,2-diamine;oxalic acid;hydrate
CID 19869425
N-(6-bromohexyl)-N',N'-diethylethane-1,2-diamine
CID 107914108
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77026354
N',N'-diethyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 28615454
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N-decyl-N',N'-diethylpropane-1,3-diamine;octadecanoic acid
CID 157321118
2-[butyl-[2-(butylamino)ethyl]amino]acetic acid
CID 102514170
methyl 3-[3-(diethylamino)propylamino]propanoate
CID 43242751
acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244

Frequently Asked Questions

What is the IUPAC name of acetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium?
The IUPAC name of acetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium (CID 139211644) is acetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium.
What is the SMILES notation for acetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium?
The canonical SMILES for acetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium is CC(=O)O.CC(=O)O.CCN(CC)CCNCCC[Si](O)(O)O.[Pd].
What is the InChIKey of acetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium?
The InChIKey is QIUZSUGLVFAXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N2O3Si.2C2H4O2.Pd/c1-3-11(4-2)8-7-10-6-5-9-15(12,13)14;2*1-2(3)4;/h10,12-14H,3-9H2,1-2H3;2*1H3,(H,3,4);.
What are the key properties of acetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium?
acetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium has a molecular weight of 462.91 g/mol, XLogP of -0.60, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N',N'-diethyl-N-(3-trihydroxysilylpropyl)ethane-1,2-diamine;palladium is sourced from PubChem (CID 139211644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).