calcium bis(2-methylpropanoate)

C8H14CaO4 — CID 102602609

IUPACcalcium bis(2-methylpropanoate)
SMILESCC(C)C(=O)[O-].CC(C)C(=O)[O-].[Ca+2]
InChIInChI=1S/2C4H8O2.Ca/c2*1-3(2)4(5)6;/h2*3H,1-2H3,(H,5,6);/q;;+2/p-2
InChIKeyBVTQVYBMHFSYPL-UHFFFAOYSA-L
MW214.27 g/mol
LogP-1.60
Rot. Bonds2

About calcium bis(2-methylpropanoate)

calcium bis(2-methylpropanoate) (PubChem CID 102602609) has the molecular formula C8H14CaO4 and a molecular weight of 214.27 g/mol. Its IUPAC name is calcium bis(2-methylpropanoate).

Molecular Properties

Compound Namecalcium bis(2-methylpropanoate)
PubChem CID102602609
Molecular FormulaC8H14CaO4
Molecular Weight214.27 g/mol
Exact Mass214.05
IUPAC Namecalcium bis(2-methylpropanoate)
SMILESCC(C)C(=O)[O-].CC(C)C(=O)[O-].[Ca+2]
InChIInChI=1S/2C4H8O2.Ca/c2*1-3(2)4(5)6;/h2*3H,1-2H3,(H,5,6);/q;;+2/p-2
InChIKeyBVTQVYBMHFSYPL-UHFFFAOYSA-L
XLogP-1.60
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

barium(2+);bis(2-methylpropanoate)
CID 23219604
tris(2-methylpropanoate);thallium(3+)
CID 173444614
dilithium bis(2-methylpropanoate)
CID 86626069
dicalcium;2-hydroxypropanoate;carbonate
CID 19973760
calcium;2-hydroxypropanoate;trihydrate
CID 23621454
calcium bis(2-iodopropanoate)
CID 88606274
calcium;bis(2-hydroxypropanoate);pentahydrate
CID 12598284
dioxozirconium;pentakis(2-methylpropanoate);2-methylpropanoic acid;hydrate
CID 162280682
lithium;sodium;2-methylpropanoate;propanoate
CID 22366595
ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate)
CID 174680586
(2R,3R)-2,3-dimethylbutanedioate
CID 6950213
dilithium;2-methylpropanedioate
CID 87066943

Frequently Asked Questions

What is the IUPAC name of calcium bis(2-methylpropanoate)?
The IUPAC name of calcium bis(2-methylpropanoate) (CID 102602609) is calcium bis(2-methylpropanoate).
What is the SMILES notation for calcium bis(2-methylpropanoate)?
The canonical SMILES for calcium bis(2-methylpropanoate) is CC(C)C(=O)[O-].CC(C)C(=O)[O-].[Ca+2].
What is the InChIKey of calcium bis(2-methylpropanoate)?
The InChIKey is BVTQVYBMHFSYPL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H8O2.Ca/c2*1-3(2)4(5)6;/h2*3H,1-2H3,(H,5,6);/q;;+2/p-2.
What are the key properties of calcium bis(2-methylpropanoate)?
calcium bis(2-methylpropanoate) has a molecular weight of 214.27 g/mol, XLogP of -1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium bis(2-methylpropanoate) is sourced from PubChem (CID 102602609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).