strontium;hydride;3-methylpentanedioic acid

C6H12O4Sr — CID 173490798

IUPACstrontium;hydride;3-methylpentanedioic acid
SMILESCC(CC(=O)O)CC(=O)O.[H-].[H-].[Sr+2]
InChIInChI=1S/C6H10O4.Sr.2H/c1-4(2-5(7)8)3-6(9)10;;;/h4H,2-3H2,1H3,(H,7,8)(H,9,10);;;/q;+2;2*-1
InChIKeyPLHCPWRAZJVJPE-UHFFFAOYSA-N
MW235.78 g/mol
LogP0.42
Rot. Bonds4

About strontium;hydride;3-methylpentanedioic acid

strontium;hydride;3-methylpentanedioic acid (PubChem CID 173490798) has the molecular formula C6H12O4Sr and a molecular weight of 235.78 g/mol. Its IUPAC name is strontium;hydride;3-methylpentanedioic acid.

Molecular Properties

Compound Namestrontium;hydride;3-methylpentanedioic acid
PubChem CID173490798
Molecular FormulaC6H12O4Sr
Molecular Weight235.78 g/mol
Exact Mass235.98
IUPAC Namestrontium;hydride;3-methylpentanedioic acid
SMILESCC(CC(=O)O)CC(=O)O.[H-].[H-].[Sr+2]
InChIInChI=1S/C6H10O4.Sr.2H/c1-4(2-5(7)8)3-6(9)10;;;/h4H,2-3H2,1H3,(H,7,8)(H,9,10);;;/q;+2;2*-1
InChIKeyPLHCPWRAZJVJPE-UHFFFAOYSA-N
XLogP0.42
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.78
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-amino-3-methyl-5-oxopentanoic acid
CID 55285544
3-methyl-4-methylsulfanylbutanoic acid
CID 59946362
(3R)-4-amino-3-methylbutanoic acid;hydrochloride
CID 87721123
4-amino-3-methylbutanoic acid;2-methylpropane
CID 143811203
3-methylbutanoic acid
CID 20849036
2-methylpentanedioic acid;3-methylpentanedioic acid
CID 159942344
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
sodium;hydride;(3S)-3-hydroxybutanoic acid
CID 173289884
3-methyl-4-nitrosobutanoic acid
CID 57071585
3-methylhexanedioic acid;dihydrobromide
CID 172737269
(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 139971647
3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid
CID 62966244

Frequently Asked Questions

What is the IUPAC name of strontium;hydride;3-methylpentanedioic acid?
The IUPAC name of strontium;hydride;3-methylpentanedioic acid (CID 173490798) is strontium;hydride;3-methylpentanedioic acid.
What is the SMILES notation for strontium;hydride;3-methylpentanedioic acid?
The canonical SMILES for strontium;hydride;3-methylpentanedioic acid is CC(CC(=O)O)CC(=O)O.[H-].[H-].[Sr+2].
What is the InChIKey of strontium;hydride;3-methylpentanedioic acid?
The InChIKey is PLHCPWRAZJVJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.Sr.2H/c1-4(2-5(7)8)3-6(9)10;;;/h4H,2-3H2,1H3,(H,7,8)(H,9,10);;;/q;+2;2*-1.
What are the key properties of strontium;hydride;3-methylpentanedioic acid?
strontium;hydride;3-methylpentanedioic acid has a molecular weight of 235.78 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;hydride;3-methylpentanedioic acid is sourced from PubChem (CID 173490798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).