2-butyl-3-methylbutanedioic acid;gold

C9H16Au2O4 — CID 174979510

IUPAC2-butyl-3-methylbutanedioic acid;gold
SMILESCCCCC(C(=O)O)C(C)C(=O)O.[Au].[Au]
InChIInChI=1S/C9H16O4.2Au/c1-3-4-5-7(9(12)13)6(2)8(10)11;;/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13);;
InChIKeyQWNFOELDHQGCCX-UHFFFAOYSA-N
MW582.16 g/mol
LogP1.59
Rot. Bonds6

About 2-butyl-3-methylbutanedioic acid;gold

2-butyl-3-methylbutanedioic acid;gold (PubChem CID 174979510) has the molecular formula C9H16Au2O4 and a molecular weight of 582.16 g/mol. Its IUPAC name is 2-butyl-3-methylbutanedioic acid;gold.

Molecular Properties

Compound Name2-butyl-3-methylbutanedioic acid;gold
PubChem CID174979510
Molecular FormulaC9H16Au2O4
Molecular Weight582.16 g/mol
Exact Mass582.04
IUPAC Name2-butyl-3-methylbutanedioic acid;gold
SMILESCCCCC(C(=O)O)C(C)C(=O)O.[Au].[Au]
InChIInChI=1S/C9H16O4.2Au/c1-3-4-5-7(9(12)13)6(2)8(10)11;;/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13);;
InChIKeyQWNFOELDHQGCCX-UHFFFAOYSA-N
XLogP1.59
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.16
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-octadecylbutanedioic acid
CID 21183584
2-(1-hexoxy-1-oxopropan-2-yl)hexanoic acid
CID 141208377
2-(1-hydroxyethyl)nonanoic acid
CID 87790479
2-(1-nitroethyl)hexanoic acid
CID 88804455
2-hexadecyl-3-octadecylbutanedioic acid
CID 21183607
2,3-di(icosyl)butanedioic acid
CID 140519407
2-methyl-3-(2-propylheptyl)butanedioic acid
CID 87579570
2-dodecyl-3-(22-methyltricosyl)butanedioic acid
CID 139823859
4-hydroxy-2,3-dimethyloctanoic acid
CID 79414235
2-(1-ethoxycarbonyloxyethyl)hexanoic acid
CID 122517241
2-methyl-3-phenylmethoxycarbonylheptanoic acid
CID 140595868
2-butan-2-ylpentadecanoic acid
CID 87442316

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-methylbutanedioic acid;gold?
The IUPAC name of 2-butyl-3-methylbutanedioic acid;gold (CID 174979510) is 2-butyl-3-methylbutanedioic acid;gold.
What is the SMILES notation for 2-butyl-3-methylbutanedioic acid;gold?
The canonical SMILES for 2-butyl-3-methylbutanedioic acid;gold is CCCCC(C(=O)O)C(C)C(=O)O.[Au].[Au].
What is the InChIKey of 2-butyl-3-methylbutanedioic acid;gold?
The InChIKey is QWNFOELDHQGCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.2Au/c1-3-4-5-7(9(12)13)6(2)8(10)11;;/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13);;.
What are the key properties of 2-butyl-3-methylbutanedioic acid;gold?
2-butyl-3-methylbutanedioic acid;gold has a molecular weight of 582.16 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-methylbutanedioic acid;gold is sourced from PubChem (CID 174979510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).