gold;heptanedioic acid

C7H12Au2O4 — CID 174896169

IUPACgold;heptanedioic acid
SMILESO=C(O)CCCCCC(=O)O.[Au].[Au]
InChIInChI=1S/C7H12O4.2Au/c8-6(9)4-2-1-3-5-7(10)11;;/h1-5H2,(H,8,9)(H,10,11);;
InChIKeyBERZGVYTQCAJEZ-UHFFFAOYSA-N
MW554.10 g/mol
LogP1.10
Rot. Bonds6

About gold;heptanedioic acid

gold;heptanedioic acid (PubChem CID 174896169) has the molecular formula C7H12Au2O4 and a molecular weight of 554.10 g/mol. Its IUPAC name is gold;heptanedioic acid.

Molecular Properties

Compound Namegold;heptanedioic acid
PubChem CID174896169
Molecular FormulaC7H12Au2O4
Molecular Weight554.10 g/mol
Exact Mass554.01
IUPAC Namegold;heptanedioic acid
SMILESO=C(O)CCCCCC(=O)O.[Au].[Au]
InChIInChI=1S/C7H12O4.2Au/c8-6(9)4-2-1-3-5-7(10)11;;/h1-5H2,(H,8,9)(H,10,11);;
InChIKeyBERZGVYTQCAJEZ-UHFFFAOYSA-N
XLogP1.10
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.10
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
octanedioic acid;zinc
CID 87285694
heptanedioic acid;dihydrochloride
CID 87431923

Frequently Asked Questions

What is the IUPAC name of gold;heptanedioic acid?
The IUPAC name of gold;heptanedioic acid (CID 174896169) is gold;heptanedioic acid.
What is the SMILES notation for gold;heptanedioic acid?
The canonical SMILES for gold;heptanedioic acid is O=C(O)CCCCCC(=O)O.[Au].[Au].
What is the InChIKey of gold;heptanedioic acid?
The InChIKey is BERZGVYTQCAJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4.2Au/c8-6(9)4-2-1-3-5-7(10)11;;/h1-5H2,(H,8,9)(H,10,11);;.
What are the key properties of gold;heptanedioic acid?
gold;heptanedioic acid has a molecular weight of 554.10 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold;heptanedioic acid is sourced from PubChem (CID 174896169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).