acetic acid;cadmium;2-methylprop-2-enoic acid

C6H10CdO4 — CID 88716408

IUPACacetic acid;cadmium;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC(=O)O.[Cd]
InChIInChI=1S/C4H6O2.C2H4O2.Cd/c1-3(2)4(5)6;1-2(3)4;/h1H2,2H3,(H,5,6);1H3,(H,3,4);
InChIKeyAHHRAGDHVVRASE-UHFFFAOYSA-N
MW258.55 g/mol
LogP0.74
Rot. Bonds1

About acetic acid;cadmium;2-methylprop-2-enoic acid

acetic acid;cadmium;2-methylprop-2-enoic acid (PubChem CID 88716408) has the molecular formula C6H10CdO4 and a molecular weight of 258.55 g/mol. Its IUPAC name is acetic acid;cadmium;2-methylprop-2-enoic acid.

Molecular Properties

Compound Nameacetic acid;cadmium;2-methylprop-2-enoic acid
PubChem CID88716408
Molecular FormulaC6H10CdO4
Molecular Weight258.55 g/mol
Exact Mass259.96
IUPAC Nameacetic acid;cadmium;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CC(=O)O.[Cd]
InChIInChI=1S/C4H6O2.C2H4O2.Cd/c1-3(2)4(5)6;1-2(3)4;/h1H2,2H3,(H,5,6);1H3,(H,3,4);
InChIKeyAHHRAGDHVVRASE-UHFFFAOYSA-N
XLogP0.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.55
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
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
chromium;bis(2-methylprop-2-enoic acid);hydrate
CID 165107719
methanol;2-methylprop-2-enoic acid;propan-2-one
CID 174711674

Frequently Asked Questions

What is the IUPAC name of acetic acid;cadmium;2-methylprop-2-enoic acid?
The IUPAC name of acetic acid;cadmium;2-methylprop-2-enoic acid (CID 88716408) is acetic acid;cadmium;2-methylprop-2-enoic acid.
What is the SMILES notation for acetic acid;cadmium;2-methylprop-2-enoic acid?
The canonical SMILES for acetic acid;cadmium;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CC(=O)O.[Cd].
What is the InChIKey of acetic acid;cadmium;2-methylprop-2-enoic acid?
The InChIKey is AHHRAGDHVVRASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H4O2.Cd/c1-3(2)4(5)6;1-2(3)4;/h1H2,2H3,(H,5,6);1H3,(H,3,4);.
What are the key properties of acetic acid;cadmium;2-methylprop-2-enoic acid?
acetic acid;cadmium;2-methylprop-2-enoic acid has a molecular weight of 258.55 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cadmium;2-methylprop-2-enoic acid is sourced from PubChem (CID 88716408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).