calcium;N,N-dimethylacetamide;diacetate

C8H15CaNO5 — CID 175064438

IUPACcalcium;N,N-dimethylacetamide;diacetate
SMILESCC(=O)N(C)C.CC(=O)[O-].CC(=O)[O-].[Ca+2]
InChIInChI=1S/C4H9NO.2C2H4O2.Ca/c1-4(6)5(2)3;2*1-2(3)4;/h1-3H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyXJWNCORJSZWEQT-UHFFFAOYSA-L
MW245.29 g/mol
LogP-2.77
Rot. Bonds

About calcium;N,N-dimethylacetamide;diacetate

calcium;N,N-dimethylacetamide;diacetate (PubChem CID 175064438) has the molecular formula C8H15CaNO5 and a molecular weight of 245.29 g/mol. Its IUPAC name is calcium;N,N-dimethylacetamide;diacetate.

Molecular Properties

Compound Namecalcium;N,N-dimethylacetamide;diacetate
PubChem CID175064438
Molecular FormulaC8H15CaNO5
Molecular Weight245.29 g/mol
Exact Mass245.06
IUPAC Namecalcium;N,N-dimethylacetamide;diacetate
SMILESCC(=O)N(C)C.CC(=O)[O-].CC(=O)[O-].[Ca+2]
InChIInChI=1S/C4H9NO.2C2H4O2.Ca/c1-4(6)5(2)3;2*1-2(3)4;/h1-3H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyXJWNCORJSZWEQT-UHFFFAOYSA-L
XLogP-2.77
TPSA100.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 5-2.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azane;N,N-dimethylacetamide
CID 161145572
tricalcium diacetate
CID 19804487
N,N-dimethylacetamide;molecular iodine
CID 158534416
lithium;N,N-dimethylacetamide;chloride
CID 87129072
N,N-dimethylacetamide;formaldehyde
CID 54040691
calcium;azane;acetate
CID 19433381
bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide
CID 173055527
potassium;N,N-dimethylacetamide;2-methylpropan-2-olate
CID 131726543
tricalcium;acetate;carbonate;chloride
CID 159671387
calcium;hydrogen carbonate;acetate
CID 138401342
carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium)
CID 160573879
N,N-dimethylacetamide;permanganic acid
CID 174571384

Frequently Asked Questions

What is the IUPAC name of calcium;N,N-dimethylacetamide;diacetate?
The IUPAC name of calcium;N,N-dimethylacetamide;diacetate (CID 175064438) is calcium;N,N-dimethylacetamide;diacetate.
What is the SMILES notation for calcium;N,N-dimethylacetamide;diacetate?
The canonical SMILES for calcium;N,N-dimethylacetamide;diacetate is CC(=O)N(C)C.CC(=O)[O-].CC(=O)[O-].[Ca+2].
What is the InChIKey of calcium;N,N-dimethylacetamide;diacetate?
The InChIKey is XJWNCORJSZWEQT-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9NO.2C2H4O2.Ca/c1-4(6)5(2)3;2*1-2(3)4;/h1-3H3;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of calcium;N,N-dimethylacetamide;diacetate?
calcium;N,N-dimethylacetamide;diacetate has a molecular weight of 245.29 g/mol, XLogP of -2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;N,N-dimethylacetamide;diacetate is sourced from PubChem (CID 175064438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).