calcium;2-methylprop-2-enoate;chloride

C4H5CaClO2 — CID 174912380

IUPACcalcium;2-methylprop-2-enoate;chloride
SMILESC=C(C)C(=O)[O-].[Ca+2].[Cl-]
InChIInChI=1S/C4H6O2.Ca.ClH/c1-3(2)4(5)6;;/h1H2,2H3,(H,5,6);;1H/q;+2;/p-2
InChIKeyYBCKLUUZSPRIAZ-UHFFFAOYSA-L
MW160.61 g/mol
LogP-4.06
Rot. Bonds1

About calcium;2-methylprop-2-enoate;chloride

calcium;2-methylprop-2-enoate;chloride (PubChem CID 174912380) has the molecular formula C4H5CaClO2 and a molecular weight of 160.61 g/mol. Its IUPAC name is calcium;2-methylprop-2-enoate;chloride.

Molecular Properties

Compound Namecalcium;2-methylprop-2-enoate;chloride
PubChem CID174912380
Molecular FormulaC4H5CaClO2
Molecular Weight160.61 g/mol
Exact Mass159.96
IUPAC Namecalcium;2-methylprop-2-enoate;chloride
SMILESC=C(C)C(=O)[O-].[Ca+2].[Cl-]
InChIInChI=1S/C4H6O2.Ca.ClH/c1-3(2)4(5)6;;/h1H2,2H3,(H,5,6);;1H/q;+2;/p-2
InChIKeyYBCKLUUZSPRIAZ-UHFFFAOYSA-L
XLogP-4.06
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.61
LogP ≤ 5-4.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexakis(2-methylprop-2-enoate);molybdenum
CID 173015670
chromium(3+);2-methylprop-2-enoate;chloride
CID 19738661
2-methylprop-2-enoate
CID 19005746
gadolinium(3+);tris(2-methylprop-2-enoate)
CID 162156326
bis(2-methylprop-2-enoate);samarium
CID 175299700
sodium;ethene;2-methylprop-2-enoate
CID 23688925
CID 159432817
CID 159432817
tris(cyclododecane);bis(2-methylprop-2-enoate)
CID 22328247
2-methylprop-2-enoate;trifluoromethane
CID 158491697
potassium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 23715908
sodium;ethene;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 159840606
2-methylprop-2-enoate isocyanate
CID 86653408

Frequently Asked Questions

What is the IUPAC name of calcium;2-methylprop-2-enoate;chloride?
The IUPAC name of calcium;2-methylprop-2-enoate;chloride (CID 174912380) is calcium;2-methylprop-2-enoate;chloride.
What is the SMILES notation for calcium;2-methylprop-2-enoate;chloride?
The canonical SMILES for calcium;2-methylprop-2-enoate;chloride is C=C(C)C(=O)[O-].[Ca+2].[Cl-].
What is the InChIKey of calcium;2-methylprop-2-enoate;chloride?
The InChIKey is YBCKLUUZSPRIAZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O2.Ca.ClH/c1-3(2)4(5)6;;/h1H2,2H3,(H,5,6);;1H/q;+2;/p-2.
What are the key properties of calcium;2-methylprop-2-enoate;chloride?
calcium;2-methylprop-2-enoate;chloride has a molecular weight of 160.61 g/mol, XLogP of -4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;2-methylprop-2-enoate;chloride is sourced from PubChem (CID 174912380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).