dimethylphosphane;2-ethyl-3-oxobutanoic acid

C8H17O3P — CID 174298040

IUPACdimethylphosphane;2-ethyl-3-oxobutanoic acid
SMILESCCC(C(C)=O)C(=O)O.CPC
InChIInChI=1S/C6H10O3.C2H7P/c1-3-5(4(2)7)6(8)9;1-3-2/h5H,3H2,1-2H3,(H,8,9);3H,1-2H3
InChIKeyUXIYMXJVOHJFAQ-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.61
Rot. Bonds3

About dimethylphosphane;2-ethyl-3-oxobutanoic acid

dimethylphosphane;2-ethyl-3-oxobutanoic acid (PubChem CID 174298040) has the molecular formula C8H17O3P and a molecular weight of 192.19 g/mol. Its IUPAC name is dimethylphosphane;2-ethyl-3-oxobutanoic acid.

Molecular Properties

Compound Namedimethylphosphane;2-ethyl-3-oxobutanoic acid
PubChem CID174298040
Molecular FormulaC8H17O3P
Molecular Weight192.19 g/mol
Exact Mass192.09
IUPAC Namedimethylphosphane;2-ethyl-3-oxobutanoic acid
SMILESCCC(C(C)=O)C(=O)O.CPC
InChIInChI=1S/C6H10O3.C2H7P/c1-3-5(4(2)7)6(8)9;1-3-2/h5H,3H2,1-2H3,(H,8,9);3H,1-2H3
InChIKeyUXIYMXJVOHJFAQ-UHFFFAOYSA-N
XLogP1.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethanol;2-ethyl-3-oxobutanoic acid
CID 87682389
2-ethyl-3-oxobutanoic acid;tris(propan-2-ol);zirconium
CID 87420924
dimethylphosphane;ethyl 2-ethyl-3-oxobutanoate
CID 174367125
CID 87196528
CID 87196528
CID 173002358
CID 173002358
tert-butyl 2-ethyl-3-oxobutanoate;dimethylphosphane
CID 174607733
potassium;sodium;2-ethylpropanedioic acid;hydride
CID 174967911
bis(2-ethyl-3-oxobutanoate);platinum(2+)
CID 87075399
3-(hydroxymethyl)pentane-2,4-dione
CID 21422016
acetic acid;2-methylbutane
CID 172862544
aluminum;2-ethyl-3-oxobutanoate;dihydroxide
CID 174056917
bis(2-ethyl-3-oxobutanoate);bis(2-methylpropan-1-ol);zirconium(2+)
CID 87420710

Frequently Asked Questions

What is the IUPAC name of dimethylphosphane;2-ethyl-3-oxobutanoic acid?
The IUPAC name of dimethylphosphane;2-ethyl-3-oxobutanoic acid (CID 174298040) is dimethylphosphane;2-ethyl-3-oxobutanoic acid.
What is the SMILES notation for dimethylphosphane;2-ethyl-3-oxobutanoic acid?
The canonical SMILES for dimethylphosphane;2-ethyl-3-oxobutanoic acid is CCC(C(C)=O)C(=O)O.CPC.
What is the InChIKey of dimethylphosphane;2-ethyl-3-oxobutanoic acid?
The InChIKey is UXIYMXJVOHJFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C2H7P/c1-3-5(4(2)7)6(8)9;1-3-2/h5H,3H2,1-2H3,(H,8,9);3H,1-2H3.
What are the key properties of dimethylphosphane;2-ethyl-3-oxobutanoic acid?
dimethylphosphane;2-ethyl-3-oxobutanoic acid has a molecular weight of 192.19 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphane;2-ethyl-3-oxobutanoic acid is sourced from PubChem (CID 174298040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).