strontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate)

C10H18O8Sr — CID 22289759

IUPACstrontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate)
SMILESCC(CO)(CO)C(=O)[O-].CC(CO)(CO)C(=O)[O-].[Sr+2]
InChIInChI=1S/2C5H10O4.Sr/c2*1-5(2-6,3-7)4(8)9;/h2*6-7H,2-3H2,1H3,(H,8,9);/q;;+2/p-2
InChIKeyIRYAOHXSVKUWMT-UHFFFAOYSA-L
MW353.87 g/mol
LogP-4.93
Rot. Bonds6

About strontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate)

strontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate) (PubChem CID 22289759) has the molecular formula C10H18O8Sr and a molecular weight of 353.87 g/mol. Its IUPAC name is strontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate).

Molecular Properties

Compound Namestrontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate)
PubChem CID22289759
Molecular FormulaC10H18O8Sr
Molecular Weight353.87 g/mol
Exact Mass354.01
IUPAC Namestrontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate)
SMILESCC(CO)(CO)C(=O)[O-].CC(CO)(CO)C(=O)[O-].[Sr+2]
InChIInChI=1S/2C5H10O4.Sr/c2*1-5(2-6,3-7)4(8)9;/h2*6-7H,2-3H2,1H3,(H,8,9);/q;;+2/p-2
InChIKeyIRYAOHXSVKUWMT-UHFFFAOYSA-L
XLogP-4.93
TPSA161.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 5-4.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-azaniumyl-3-hydroxy-2-methylpropanoate
CID 25202874
cobalt;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
CID 174867740
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;silver
CID 87183667
(2S)-2-ethyl-2-methylpentanoate
CID 86306121
iodanium 2,2-dimethylpropanoate
CID 172810367
2,2-dimethylpropanoate;palladium
CID 146681285
potassium 2,2-dimethylpropanoate
CID 23662159
barium(2+);bis(2,2-dimethylpropanoate)
CID 15120173
3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;methoxymethane
CID 87556675
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
4-hydroxy-3,3-dimethyl-2-oxobutanoate
CID 16755619
2-hexyl-2-methylpentadecanoate
CID 57350898

Frequently Asked Questions

What is the IUPAC name of strontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate)?
The IUPAC name of strontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate) (CID 22289759) is strontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate).
What is the SMILES notation for strontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate)?
The canonical SMILES for strontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate) is CC(CO)(CO)C(=O)[O-].CC(CO)(CO)C(=O)[O-].[Sr+2].
What is the InChIKey of strontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate)?
The InChIKey is IRYAOHXSVKUWMT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H10O4.Sr/c2*1-5(2-6,3-7)4(8)9;/h2*6-7H,2-3H2,1H3,(H,8,9);/q;;+2/p-2.
What are the key properties of strontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate)?
strontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate) has a molecular weight of 353.87 g/mol, XLogP of -4.93, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for strontium bis(3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate) is sourced from PubChem (CID 22289759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).