butane;dodecanoic acid;silver

C20H42AgO2-2 — CID 158125480

IUPACbutane;dodecanoic acid;silver
SMILESCCCCCCCCCCCC(=O)O.[Ag].[CH2-]CCC.[CH2-]CCC
InChIInChI=1S/C12H24O2.2C4H9.Ag/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;2*-1;
InChIKeyLWZFHCAFPFMPDR-UHFFFAOYSA-N
MW422.42 g/mol
LogP7.23
Rot. Bonds12

About butane;dodecanoic acid;silver

butane;dodecanoic acid;silver (PubChem CID 158125480) has the molecular formula C20H42AgO2-2 and a molecular weight of 422.42 g/mol. Its IUPAC name is butane;dodecanoic acid;silver.

Molecular Properties

Compound Namebutane;dodecanoic acid;silver
PubChem CID158125480
Molecular FormulaC20H42AgO2-2
Molecular Weight422.42 g/mol
Exact Mass421.22
IUPAC Namebutane;dodecanoic acid;silver
SMILESCCCCCCCCCCCC(=O)O.[Ag].[CH2-]CCC.[CH2-]CCC
InChIInChI=1S/C12H24O2.2C4H9.Ag/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;2*-1;
InChIKeyLWZFHCAFPFMPDR-UHFFFAOYSA-N
XLogP7.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.42
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 161141504
hexatriacontanoic acid
CID 87094359
tetradecanoic acid
CID 88995416
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988

Frequently Asked Questions

What is the IUPAC name of butane;dodecanoic acid;silver?
The IUPAC name of butane;dodecanoic acid;silver (CID 158125480) is butane;dodecanoic acid;silver.
What is the SMILES notation for butane;dodecanoic acid;silver?
The canonical SMILES for butane;dodecanoic acid;silver is CCCCCCCCCCCC(=O)O.[Ag].[CH2-]CCC.[CH2-]CCC.
What is the InChIKey of butane;dodecanoic acid;silver?
The InChIKey is LWZFHCAFPFMPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.2C4H9.Ag/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-4-2;/h2-11H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;2*-1;.
What are the key properties of butane;dodecanoic acid;silver?
butane;dodecanoic acid;silver has a molecular weight of 422.42 g/mol, XLogP of 7.23, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;dodecanoic acid;silver is sourced from PubChem (CID 158125480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).