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

Methyl pivalate
CID 69027
Formic pivalic anhydride
CID 11804789
Methyl-1-formylpropionate
CID 22339057
Pomgold
CID 129774314
Pomtine
CID 129821688
Pom-iron
CID 129835250
Lithium methanidyl 2,2-dimethylpropanoate
CID 135049266
Methanidyl 2,2-dimethylpropanoate;yttrium
CID 57673402
methyl 2,2-dimethylpropan(18O2)oate
CID 57864686
CID 58264690
CID 58264690
Methyl 3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propanoate
CID 87287756
Methyl 2,2-dimethylpropanoate;hydroiodide
CID 88523049

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).