chromium;bis(2-methylprop-2-enoic acid);hydrate

C8H14CrO5 — CID 165107719

IUPACchromium;bis(2-methylprop-2-enoic acid);hydrate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.O.[Cr]
InChIInChI=1S/2C4H6O2.Cr.H2O/c2*1-3(2)4(5)6;;/h2*1H2,2H3,(H,5,6);;1H2
InChIKeyZKSGMJIHJWZPRI-UHFFFAOYSA-N
MW242.19 g/mol
LogP0.47
Rot. Bonds2

About chromium;bis(2-methylprop-2-enoic acid);hydrate

chromium;bis(2-methylprop-2-enoic acid);hydrate (PubChem CID 165107719) has the molecular formula C8H14CrO5 and a molecular weight of 242.19 g/mol. Its IUPAC name is chromium;bis(2-methylprop-2-enoic acid);hydrate.

Molecular Properties

Compound Namechromium;bis(2-methylprop-2-enoic acid);hydrate
PubChem CID165107719
Molecular FormulaC8H14CrO5
Molecular Weight242.19 g/mol
Exact Mass242.02
IUPAC Namechromium;bis(2-methylprop-2-enoic acid);hydrate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.O.[Cr]
InChIInChI=1S/2C4H6O2.Cr.H2O/c2*1-3(2)4(5)6;;/h2*1H2,2H3,(H,5,6);;1H2
InChIKeyZKSGMJIHJWZPRI-UHFFFAOYSA-N
XLogP0.47
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 50.47
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

2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
acetic acid;2-methylprop-2-enoic acid
CID 21426946
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
methanol;2-methylprop-2-enoic acid;propan-2-one
CID 174711674

Frequently Asked Questions

What is the IUPAC name of chromium;bis(2-methylprop-2-enoic acid);hydrate?
The IUPAC name of chromium;bis(2-methylprop-2-enoic acid);hydrate (CID 165107719) is chromium;bis(2-methylprop-2-enoic acid);hydrate.
What is the SMILES notation for chromium;bis(2-methylprop-2-enoic acid);hydrate?
The canonical SMILES for chromium;bis(2-methylprop-2-enoic acid);hydrate is C=C(C)C(=O)O.C=C(C)C(=O)O.O.[Cr].
What is the InChIKey of chromium;bis(2-methylprop-2-enoic acid);hydrate?
The InChIKey is ZKSGMJIHJWZPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O2.Cr.H2O/c2*1-3(2)4(5)6;;/h2*1H2,2H3,(H,5,6);;1H2.
What are the key properties of chromium;bis(2-methylprop-2-enoic acid);hydrate?
chromium;bis(2-methylprop-2-enoic acid);hydrate has a molecular weight of 242.19 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;bis(2-methylprop-2-enoic acid);hydrate is sourced from PubChem (CID 165107719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).