sodium;ethanamine;gold;hydride;3-oxohexadecanoic acid

C18H38AuNNaO3 — CID 174790756

IUPACsodium;ethanamine;gold;hydride;3-oxohexadecanoic acid
SMILESCCCCCCCCCCCCCC(=O)CC(=O)O.CCN.[Au].[H-].[Na+]
InChIInChI=1S/C16H30O3.C2H7N.Au.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19;1-2-3;;;/h2-14H2,1H3,(H,18,19);2-3H2,1H3;;;/q;;;+1;-1
InChIKeyDVCGMAKZVDYQBK-UHFFFAOYSA-N
MW536.46 g/mol
LogP1.81
Rot. Bonds14

About sodium;ethanamine;gold;hydride;3-oxohexadecanoic acid

sodium;ethanamine;gold;hydride;3-oxohexadecanoic acid (PubChem CID 174790756) has the molecular formula C18H38AuNNaO3 and a molecular weight of 536.46 g/mol. Its IUPAC name is sodium;ethanamine;gold;hydride;3-oxohexadecanoic acid.

Molecular Properties

Compound Namesodium;ethanamine;gold;hydride;3-oxohexadecanoic acid
PubChem CID174790756
Molecular FormulaC18H38AuNNaO3
Molecular Weight536.46 g/mol
Exact Mass536.24
IUPAC Namesodium;ethanamine;gold;hydride;3-oxohexadecanoic acid
SMILESCCCCCCCCCCCCCC(=O)CC(=O)O.CCN.[Au].[H-].[Na+]
InChIInChI=1S/C16H30O3.C2H7N.Au.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19;1-2-3;;;/h2-14H2,1H3,(H,18,19);2-3H2,1H3;;;/q;;;+1;-1
InChIKeyDVCGMAKZVDYQBK-UHFFFAOYSA-N
XLogP1.81
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

16,18-dioxoheptacosanoic acid
CID 101056958
heptacosane-10,12-dione
CID 14235516
3,16-dioxooctadecanedioic acid
CID 22644280
disodium;hydride;icosanoic acid
CID 175560905
disodium;hydride;tetradecanoic acid
CID 175149200
sodium;decanoic acid;hydride;tetradecanoic acid
CID 173314479
sodium;dodecanoic acid;hydride
CID 173060618
3-oxoicosa-11,14-dienoic acid
CID 123247176
sodium;hydride;octanoic acid;selane
CID 174677652
7-oxopentadecanoic acid
CID 14454467
disodium;hexadecanoic acid;hydride;hydrate
CID 174056425
octadecanoic acid;propanedioic acid
CID 159340862

Frequently Asked Questions

What is the IUPAC name of sodium;ethanamine;gold;hydride;3-oxohexadecanoic acid?
The IUPAC name of sodium;ethanamine;gold;hydride;3-oxohexadecanoic acid (CID 174790756) is sodium;ethanamine;gold;hydride;3-oxohexadecanoic acid.
What is the SMILES notation for sodium;ethanamine;gold;hydride;3-oxohexadecanoic acid?
The canonical SMILES for sodium;ethanamine;gold;hydride;3-oxohexadecanoic acid is CCCCCCCCCCCCCC(=O)CC(=O)O.CCN.[Au].[H-].[Na+].
What is the InChIKey of sodium;ethanamine;gold;hydride;3-oxohexadecanoic acid?
The InChIKey is DVCGMAKZVDYQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3.C2H7N.Au.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19;1-2-3;;;/h2-14H2,1H3,(H,18,19);2-3H2,1H3;;;/q;;;+1;-1.
What are the key properties of sodium;ethanamine;gold;hydride;3-oxohexadecanoic acid?
sodium;ethanamine;gold;hydride;3-oxohexadecanoic acid has a molecular weight of 536.46 g/mol, XLogP of 1.81, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethanamine;gold;hydride;3-oxohexadecanoic acid is sourced from PubChem (CID 174790756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).