strontium;formyl 2,2-dimethylpropanoate;hydride

C6H12O3Sr — CID 174490906

IUPACstrontium;formyl 2,2-dimethylpropanoate;hydride
SMILESCC(C)(C)C(=O)OC=O.[H-].[H-].[Sr+2]
InChIInChI=1S/C6H10O3.Sr.2H/c1-6(2,3)5(8)9-4-7;;;/h4H,1-3H3;;;/q;+2;2*-1
InChIKeyHZJWGTUSBCXNJX-UHFFFAOYSA-N
MW219.78 g/mol
LogP0.58
Rot. Bonds1

About strontium;formyl 2,2-dimethylpropanoate;hydride

strontium;formyl 2,2-dimethylpropanoate;hydride (PubChem CID 174490906) has the molecular formula C6H12O3Sr and a molecular weight of 219.78 g/mol. Its IUPAC name is strontium;formyl 2,2-dimethylpropanoate;hydride.

Molecular Properties

Compound Namestrontium;formyl 2,2-dimethylpropanoate;hydride
PubChem CID174490906
Molecular FormulaC6H12O3Sr
Molecular Weight219.78 g/mol
Exact Mass219.98
IUPAC Namestrontium;formyl 2,2-dimethylpropanoate;hydride
SMILESCC(C)(C)C(=O)OC=O.[H-].[H-].[Sr+2]
InChIInChI=1S/C6H10O3.Sr.2H/c1-6(2,3)5(8)9-4-7;;;/h4H,1-3H3;;;/q;+2;2*-1
InChIKeyHZJWGTUSBCXNJX-UHFFFAOYSA-N
XLogP0.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.78
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

lithium;formyl 2,2-dimethylpropanoate;hydride
CID 174785944
formyl 2,2-dimethylpropanoate;bis(pyridine)
CID 175298462
ethene;ethenyl 2,2-dimethylpropanoate
CID 159810443
formyl 3,3-dimethyl-2-oxobutanoate
CID 54287914
formyl 2,2,2-trichloroacetate
CID 57087058
acetic acid;ethenyl 2,2-dimethylpropanoate
CID 162337931
lithium 1-(2,2-dimethylpropanoyloxy)-3,3-dimethylbut-1-en-2-olate
CID 23691100
calcium;sodium;formyl acetate;hydride
CID 173454549
1-oxopropan-2-yl 2,2-dimethylpropanoate
CID 87537011
formyl acetate;trihydrate
CID 174475141
calcium;sodium;carboxy formate;hydride
CID 173156928
2,2-dimethylpropanoyloxysulfanyl 2,2-dimethylpropanoate
CID 54093777

Frequently Asked Questions

What is the IUPAC name of strontium;formyl 2,2-dimethylpropanoate;hydride?
The IUPAC name of strontium;formyl 2,2-dimethylpropanoate;hydride (CID 174490906) is strontium;formyl 2,2-dimethylpropanoate;hydride.
What is the SMILES notation for strontium;formyl 2,2-dimethylpropanoate;hydride?
The canonical SMILES for strontium;formyl 2,2-dimethylpropanoate;hydride is CC(C)(C)C(=O)OC=O.[H-].[H-].[Sr+2].
What is the InChIKey of strontium;formyl 2,2-dimethylpropanoate;hydride?
The InChIKey is HZJWGTUSBCXNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.Sr.2H/c1-6(2,3)5(8)9-4-7;;;/h4H,1-3H3;;;/q;+2;2*-1.
What are the key properties of strontium;formyl 2,2-dimethylpropanoate;hydride?
strontium;formyl 2,2-dimethylpropanoate;hydride has a molecular weight of 219.78 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;formyl 2,2-dimethylpropanoate;hydride is sourced from PubChem (CID 174490906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).