strontium;3,3-dimethylpentanedioate;hydrate

C7H12O5Sr — CID 71479044

IUPACstrontium;3,3-dimethylpentanedioate;hydrate
SMILESCC(C)(CC(=O)[O-])CC(=O)[O-].O.[Sr+2]
InChIInChI=1S/C7H12O4.H2O.Sr/c1-7(2,3-5(8)9)4-6(10)11;;/h3-4H2,1-2H3,(H,8,9)(H,10,11);1H2;/q;;+2/p-2
InChIKeyDLJVZQPHYJLRKG-UHFFFAOYSA-L
MW263.79 g/mol
LogP-2.91
Rot. Bonds4

About strontium;3,3-dimethylpentanedioate;hydrate

strontium;3,3-dimethylpentanedioate;hydrate (PubChem CID 71479044) has the molecular formula C7H12O5Sr and a molecular weight of 263.79 g/mol. Its IUPAC name is strontium;3,3-dimethylpentanedioate;hydrate.

Molecular Properties

Compound Namestrontium;3,3-dimethylpentanedioate;hydrate
PubChem CID71479044
Molecular FormulaC7H12O5Sr
Molecular Weight263.79 g/mol
Exact Mass263.97
IUPAC Namestrontium;3,3-dimethylpentanedioate;hydrate
SMILESCC(C)(CC(=O)[O-])CC(=O)[O-].O.[Sr+2]
InChIInChI=1S/C7H12O4.H2O.Sr/c1-7(2,3-5(8)9)4-6(10)11;;/h3-4H2,1-2H3,(H,8,9)(H,10,11);1H2;/q;;+2/p-2
InChIKeyDLJVZQPHYJLRKG-UHFFFAOYSA-L
XLogP-2.91
TPSA111.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 5-2.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

barium(2+);bis(3,3,5,5-tetramethylhexanoate)
CID 164512103
hexadecakis(3,3-dimethylbutanoate);tetrakis(hafnium(4+))
CID 139142532
strontium;acetate;hexahydrate
CID 19795582
(2S)-2-azaniumyl-2-methylbutanedioate
CID 7015722
disilver;2-hydroxy-2-methylbutanedioate
CID 23440528
propanoate;hydrate
CID 19032208
5-(4-cyanoanilino)-3,3-dimethyl-5-oxopentanoate
CID 6930402
3,3-difluorobutanoate;fluoromethane;hydron;methane
CID 159265772
3-(carboxylatomethyl)-3-hydroxypentanedioate
CID 3381253
2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
potassium;trisodium;2-hydroxypropane-1,2,3-tricarboxylate;acetate;dihydrate
CID 173181052
calcium;propanoate;trihydrate
CID 158992418

Frequently Asked Questions

What is the IUPAC name of strontium;3,3-dimethylpentanedioate;hydrate?
The IUPAC name of strontium;3,3-dimethylpentanedioate;hydrate (CID 71479044) is strontium;3,3-dimethylpentanedioate;hydrate.
What is the SMILES notation for strontium;3,3-dimethylpentanedioate;hydrate?
The canonical SMILES for strontium;3,3-dimethylpentanedioate;hydrate is CC(C)(CC(=O)[O-])CC(=O)[O-].O.[Sr+2].
What is the InChIKey of strontium;3,3-dimethylpentanedioate;hydrate?
The InChIKey is DLJVZQPHYJLRKG-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H12O4.H2O.Sr/c1-7(2,3-5(8)9)4-6(10)11;;/h3-4H2,1-2H3,(H,8,9)(H,10,11);1H2;/q;;+2/p-2.
What are the key properties of strontium;3,3-dimethylpentanedioate;hydrate?
strontium;3,3-dimethylpentanedioate;hydrate has a molecular weight of 263.79 g/mol, XLogP of -2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;3,3-dimethylpentanedioate;hydrate is sourced from PubChem (CID 71479044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).