dichlorophosphinic acid;2-methylprop-2-enoic acid

C4H7Cl2O4P — CID 159598059

IUPACdichlorophosphinic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.O=P(O)(Cl)Cl
InChIInChI=1S/C4H6O2.Cl2HO2P/c1-3(2)4(5)6;1-5(2,3)4/h1H2,2H3,(H,5,6);(H,3,4)
InChIKeyMLCKVHDVVKRYGB-UHFFFAOYSA-N
MW220.98 g/mol
LogP2.21
Rot. Bonds1

About dichlorophosphinic acid;2-methylprop-2-enoic acid

dichlorophosphinic acid;2-methylprop-2-enoic acid (PubChem CID 159598059) has the molecular formula C4H7Cl2O4P and a molecular weight of 220.98 g/mol. Its IUPAC name is dichlorophosphinic acid;2-methylprop-2-enoic acid.

Molecular Properties

Compound Namedichlorophosphinic acid;2-methylprop-2-enoic acid
PubChem CID159598059
Molecular FormulaC4H7Cl2O4P
Molecular Weight220.98 g/mol
Exact Mass219.95
IUPAC Namedichlorophosphinic acid;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.O=P(O)(Cl)Cl
InChIInChI=1S/C4H6O2.Cl2HO2P/c1-3(2)4(5)6;1-5(2,3)4/h1H2,2H3,(H,5,6);(H,3,4)
InChIKeyMLCKVHDVVKRYGB-UHFFFAOYSA-N
XLogP2.21
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.98
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methanol;2-methylprop-2-enoic acid;phosphoric acid
CID 163792236
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
acetic acid;2-methylprop-2-enoic acid
CID 21426946
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
CID 131883821
CID 131883821
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
strontium;hydride;2-methylprop-2-enoic acid
CID 173027566
dilithium;hydride;2-methylprop-2-enoic acid
CID 174560536
acetic acid;cadmium;2-methylprop-2-enoic acid
CID 88716408

Frequently Asked Questions

What is the IUPAC name of dichlorophosphinic acid;2-methylprop-2-enoic acid?
The IUPAC name of dichlorophosphinic acid;2-methylprop-2-enoic acid (CID 159598059) is dichlorophosphinic acid;2-methylprop-2-enoic acid.
What is the SMILES notation for dichlorophosphinic acid;2-methylprop-2-enoic acid?
The canonical SMILES for dichlorophosphinic acid;2-methylprop-2-enoic acid is C=C(C)C(=O)O.O=P(O)(Cl)Cl.
What is the InChIKey of dichlorophosphinic acid;2-methylprop-2-enoic acid?
The InChIKey is MLCKVHDVVKRYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.Cl2HO2P/c1-3(2)4(5)6;1-5(2,3)4/h1H2,2H3,(H,5,6);(H,3,4).
What are the key properties of dichlorophosphinic acid;2-methylprop-2-enoic acid?
dichlorophosphinic acid;2-methylprop-2-enoic acid has a molecular weight of 220.98 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorophosphinic acid;2-methylprop-2-enoic acid is sourced from PubChem (CID 159598059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).