2-oxopentanoic acid;dihydrochloride

C5H10Cl2O3 — CID 143025577

IUPAC2-oxopentanoic acid;dihydrochloride
SMILESCCCC(=O)C(=O)O.Cl.Cl
InChIInChI=1S/C5H8O3.2ClH/c1-2-3-4(6)5(7)8;;/h2-3H2,1H3,(H,7,8);2*1H
InChIKeyMFZYVSJNKUUULP-UHFFFAOYSA-N
MW189.04 g/mol
LogP1.28
Rot. Bonds3

About 2-oxopentanoic acid;dihydrochloride

2-oxopentanoic acid;dihydrochloride (PubChem CID 143025577) has the molecular formula C5H10Cl2O3 and a molecular weight of 189.04 g/mol. Its IUPAC name is 2-oxopentanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-oxopentanoic acid;dihydrochloride
PubChem CID143025577
Molecular FormulaC5H10Cl2O3
Molecular Weight189.04 g/mol
Exact Mass188.00
IUPAC Name2-oxopentanoic acid;dihydrochloride
SMILESCCCC(=O)C(=O)O.Cl.Cl
InChIInChI=1S/C5H8O3.2ClH/c1-2-3-4(6)5(7)8;;/h2-3H2,1H3,(H,7,8);2*1H
InChIKeyMFZYVSJNKUUULP-UHFFFAOYSA-N
XLogP1.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.04
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 159940817
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CID 88811226
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CID 5312932
2,4-dioxoheptanoic acid
CID 23169167
2-oxoheptadecanoic acid
CID 5312901
butanoic acid;dihydrochloride
CID 173423767
2-oxobutanoic acid;hydrate
CID 87187128
alumane;2-oxononadecanoic acid
CID 174495213
chromium;2-oxooctanoic acid
CID 174981458
2-oxopentanedioic acid;propanoic acid
CID 159621051
2,5-dioxoheptanoic acid
CID 18004594
3-amino-2-methyl-4-oxohept-2-enoic acid
CID 173202230

Frequently Asked Questions

What is the IUPAC name of 2-oxopentanoic acid;dihydrochloride?
The IUPAC name of 2-oxopentanoic acid;dihydrochloride (CID 143025577) is 2-oxopentanoic acid;dihydrochloride.
What is the SMILES notation for 2-oxopentanoic acid;dihydrochloride?
The canonical SMILES for 2-oxopentanoic acid;dihydrochloride is CCCC(=O)C(=O)O.Cl.Cl.
What is the InChIKey of 2-oxopentanoic acid;dihydrochloride?
The InChIKey is MFZYVSJNKUUULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.2ClH/c1-2-3-4(6)5(7)8;;/h2-3H2,1H3,(H,7,8);2*1H.
What are the key properties of 2-oxopentanoic acid;dihydrochloride?
2-oxopentanoic acid;dihydrochloride has a molecular weight of 189.04 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopentanoic acid;dihydrochloride is sourced from PubChem (CID 143025577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).