dimethyl oxalate;hydrochloride

C4H7ClO4 — CID 172754902

IUPACdimethyl oxalate;hydrochloride
SMILESCOC(=O)C(=O)OC.Cl
InChIInChI=1S/C4H6O4.ClH/c1-7-3(5)4(6)8-2;/h1-2H3;1H
InChIKeyKWRISYJIPBPLMR-UHFFFAOYSA-N
MW154.55 g/mol
LogP-0.25
Rot. Bonds

About dimethyl oxalate;hydrochloride

dimethyl oxalate;hydrochloride (PubChem CID 172754902) has the molecular formula C4H7ClO4 and a molecular weight of 154.55 g/mol. Its IUPAC name is dimethyl oxalate;hydrochloride.

Molecular Properties

Compound Namedimethyl oxalate;hydrochloride
PubChem CID172754902
Molecular FormulaC4H7ClO4
Molecular Weight154.55 g/mol
Exact Mass154.00
IUPAC Namedimethyl oxalate;hydrochloride
SMILESCOC(=O)C(=O)OC.Cl
InChIInChI=1S/C4H6O4.ClH/c1-7-3(5)4(6)8-2;/h1-2H3;1H
InChIKeyKWRISYJIPBPLMR-UHFFFAOYSA-N
XLogP-0.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.55
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl oxalate
CID 11120
dimethyl (E)-2,3-dihydroxybut-2-enedioate
CID 54699194
dimethyl 2,3-dihydroxybut-2-enedioate
CID 54697656
dimethyl (Z)-2,3-bis(sulfanyl)but-2-enedioate
CID 6914047
ethane;methyl 2-oxopropanoate
CID 142946473
dimethyl 2,3,4,5-tetramethylhexa-2,4-dienedioate
CID 131887550
CID 87704486
CID 87704486
2-methoxy-2-oxoacetic acid;bis(yttrium)
CID 58923801
ethane;2-methoxy-2-oxoacetic acid
CID 175061457
methyl 2-oxopropanoate;hydrate
CID 172759960
methyl 2-hydroxy(113C)prop-2-enoate
CID 102061345
dimethyl (Z)-2,5-dioxohex-3-enedioate
CID 139974198

Frequently Asked Questions

What is the IUPAC name of dimethyl oxalate;hydrochloride?
The IUPAC name of dimethyl oxalate;hydrochloride (CID 172754902) is dimethyl oxalate;hydrochloride.
What is the SMILES notation for dimethyl oxalate;hydrochloride?
The canonical SMILES for dimethyl oxalate;hydrochloride is COC(=O)C(=O)OC.Cl.
What is the InChIKey of dimethyl oxalate;hydrochloride?
The InChIKey is KWRISYJIPBPLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.ClH/c1-7-3(5)4(6)8-2;/h1-2H3;1H.
What are the key properties of dimethyl oxalate;hydrochloride?
dimethyl oxalate;hydrochloride has a molecular weight of 154.55 g/mol, XLogP of -0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl oxalate;hydrochloride is sourced from PubChem (CID 172754902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).