bis(2-ethyl-2-hydroxybutanoic acid);oxochromium

C12H24CrO7 — CID 10991103

IUPACbis(2-ethyl-2-hydroxybutanoic acid);oxochromium
SMILESCCC(O)(CC)C(=O)O.CCC(O)(CC)C(=O)O.O=[Cr]
InChIInChI=1S/2C6H12O3.Cr.O/c2*1-3-6(9,4-2)5(7)8;;/h2*9H,3-4H2,1-2H3,(H,7,8);;
InChIKeyLSFKJIANQHZWHO-UHFFFAOYSA-N
MW332.31 g/mol
LogP1.12
Rot. Bonds6

About bis(2-ethyl-2-hydroxybutanoic acid);oxochromium

bis(2-ethyl-2-hydroxybutanoic acid);oxochromium (PubChem CID 10991103) has the molecular formula C12H24CrO7 and a molecular weight of 332.31 g/mol. Its IUPAC name is bis(2-ethyl-2-hydroxybutanoic acid);oxochromium.

Molecular Properties

Compound Namebis(2-ethyl-2-hydroxybutanoic acid);oxochromium
PubChem CID10991103
Molecular FormulaC12H24CrO7
Molecular Weight332.31 g/mol
Exact Mass332.09
IUPAC Namebis(2-ethyl-2-hydroxybutanoic acid);oxochromium
SMILESCCC(O)(CC)C(=O)O.CCC(O)(CC)C(=O)O.O=[Cr]
InChIInChI=1S/2C6H12O3.Cr.O/c2*1-3-6(9,4-2)5(7)8;;/h2*9H,3-4H2,1-2H3,(H,7,8);;
InChIKeyLSFKJIANQHZWHO-UHFFFAOYSA-N
XLogP1.12
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-ethyl-2-hydroxybutanedioic acid
CID 5280519
(2R)-2-ethyl-2-hydroxypentanoic acid
CID 10725485
2-(fluoromethyl)-2-hydroxybutanoic acid
CID 22639794
2-ethyl-2-hydroxyhexanoic acid
CID 20700530
2-ethyl-2-hydroxyoctadecanoic acid
CID 23182335
2-benzyl-2-hydroxybutanoic acid
CID 22013212
2-hydroxy-2-pentylheptanoic acid
CID 18462857
ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 161021171
azane;ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173341886
2,2,3,3-tetraethylbutanedioic acid
CID 23424098
2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
(2R)-2-dodecyl-2-hydroxytricosanoic acid
CID 163058779

Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-2-hydroxybutanoic acid);oxochromium?
The IUPAC name of bis(2-ethyl-2-hydroxybutanoic acid);oxochromium (CID 10991103) is bis(2-ethyl-2-hydroxybutanoic acid);oxochromium.
What is the SMILES notation for bis(2-ethyl-2-hydroxybutanoic acid);oxochromium?
The canonical SMILES for bis(2-ethyl-2-hydroxybutanoic acid);oxochromium is CCC(O)(CC)C(=O)O.CCC(O)(CC)C(=O)O.O=[Cr].
What is the InChIKey of bis(2-ethyl-2-hydroxybutanoic acid);oxochromium?
The InChIKey is LSFKJIANQHZWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12O3.Cr.O/c2*1-3-6(9,4-2)5(7)8;;/h2*9H,3-4H2,1-2H3,(H,7,8);;.
What are the key properties of bis(2-ethyl-2-hydroxybutanoic acid);oxochromium?
bis(2-ethyl-2-hydroxybutanoic acid);oxochromium has a molecular weight of 332.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-2-hydroxybutanoic acid);oxochromium is sourced from PubChem (CID 10991103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).