chromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate)

C30H42CrO6 — CID 54696006

IUPACchromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate)
SMILESCC(C)(C)c1cc(C(=O)O)c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)O)c([O-])c(C(C)(C)C)c1.[Cr+2]
InChIInChI=1S/2C15H22O3.Cr/c2*1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6;/h2*7-8,16H,1-6H3,(H,17,18);/q;;+2/p-2
InChIKeyHYDOOLWWEONQBG-UHFFFAOYSA-L
MW550.66 g/mol
LogP6.10
Rot. Bonds2

About chromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate)

chromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate) (PubChem CID 54696006) has the molecular formula C30H42CrO6 and a molecular weight of 550.66 g/mol. Its IUPAC name is chromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate).

Molecular Properties

Compound Namechromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate)
PubChem CID54696006
Molecular FormulaC30H42CrO6
Molecular Weight550.66 g/mol
Exact Mass550.24
IUPAC Namechromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate)
SMILESCC(C)(C)c1cc(C(=O)O)c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)O)c([O-])c(C(C)(C)C)c1.[Cr+2]
InChIInChI=1S/2C15H22O3.Cr/c2*1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6;/h2*7-8,16H,1-6H3,(H,17,18);/q;;+2/p-2
InChIKeyHYDOOLWWEONQBG-UHFFFAOYSA-L
XLogP6.10
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

zinc bis(2,4-ditert-butyl-6-carboxyphenolate)
CID 54686148
3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium
CID 88921612
tris(3,5-ditert-butyl-2-hydroxybenzoic acid);iron
CID 164898882
2-acetyloxy-3,5-ditert-butylbenzoic acid
CID 15219417
3,5-ditert-butyl-2-hexadecylbenzoic acid
CID 151121985
3,5-ditert-butyl-2-hydroxybenzoic acid;formamide;titanium
CID 174960919
tris(2,6-ditert-butyl-4-carboxy-3-(2,4-ditert-butyl-6-carboxy-3-oxidophenyl)peroxyphenolate);molybdenum
CID 173439352
3,5-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxybenzoyl)oxybenzoic acid
CID 175546183
bis(2,4-ditert-butyl-6-(C,N-diphenylcarbonimidoyl)phenolate);titanium(4+);dichloride
CID 159591478
zinc bis(2,3-ditert-butyl-6-carboxyphenolate)
CID 87515016
bis(2-amino-4,6-ditert-butylphenolate);cobalt(2+)
CID 24809192
5-tert-butylbenzene-1,3-dicarboxylic acid
CID 159495338

Frequently Asked Questions

What is the IUPAC name of chromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate)?
The IUPAC name of chromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate) (CID 54696006) is chromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate).
What is the SMILES notation for chromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate)?
The canonical SMILES for chromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate) is CC(C)(C)c1cc(C(=O)O)c([O-])c(C(C)(C)C)c1.CC(C)(C)c1cc(C(=O)O)c([O-])c(C(C)(C)C)c1.[Cr+2].
What is the InChIKey of chromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate)?
The InChIKey is HYDOOLWWEONQBG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H22O3.Cr/c2*1-14(2,3)9-7-10(13(17)18)12(16)11(8-9)15(4,5)6;/h2*7-8,16H,1-6H3,(H,17,18);/q;;+2/p-2.
What are the key properties of chromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate)?
chromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate) has a molecular weight of 550.66 g/mol, XLogP of 6.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);bis(2,4-ditert-butyl-6-carboxyphenolate) is sourced from PubChem (CID 54696006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).