disodium;hydride;hydron;bis(2-propylpentanoic acid)

C16H34Na2O4+2 — CID 173312027

IUPACdisodium;hydride;hydron;bis(2-propylpentanoic acid)
SMILESCCCC(CCC)C(=O)O.CCCC(CCC)C(=O)O.[H+].[H-].[Na+].[Na+]
InChIInChI=1S/2C8H16O2.2Na.H/c2*1-3-5-7(6-4-2)8(9)10;;;/h2*7H,3-6H2,1-2H3,(H,9,10);;;/q;;2*+1;-1/p+1
InChIKeyXEYJXBFQCAFSIK-UHFFFAOYSA-O
MW336.42 g/mol
LogP-1.19
Rot. Bonds10

About disodium;hydride;hydron;bis(2-propylpentanoic acid)

disodium;hydride;hydron;bis(2-propylpentanoic acid) (PubChem CID 173312027) has the molecular formula C16H34Na2O4+2 and a molecular weight of 336.42 g/mol. Its IUPAC name is disodium;hydride;hydron;bis(2-propylpentanoic acid).

Molecular Properties

Compound Namedisodium;hydride;hydron;bis(2-propylpentanoic acid)
PubChem CID173312027
Molecular FormulaC16H34Na2O4+2
Molecular Weight336.42 g/mol
Exact Mass336.22
IUPAC Namedisodium;hydride;hydron;bis(2-propylpentanoic acid)
SMILESCCCC(CCC)C(=O)O.CCCC(CCC)C(=O)O.[H+].[H-].[Na+].[Na+]
InChIInChI=1S/2C8H16O2.2Na.H/c2*1-3-5-7(6-4-2)8(9)10;;;/h2*7H,3-6H2,1-2H3,(H,9,10);;;/q;;2*+1;-1/p+1
InChIKeyXEYJXBFQCAFSIK-UHFFFAOYSA-O
XLogP-1.19
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
formic acid;2-propylpentanoic acid
CID 87531584
2-ethylpentanoic acid
CID 30020
2-ethylpentanoic acid
CID 158993232
phosphane;2-propylhexanoic acid
CID 87429538
λ2-stannane;2-propylhexanoic acid
CID 174232814
2-propylhexadecanoic acid
CID 10040360
2-ethyl-6-propylheptanedioic acid
CID 154140899
2-propylheptadecanoic acid
CID 22251985
(2S)-2-propylbutanedioic acid
CID 12648185
CID 10177012
CID 10177012
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid
CID 15940218

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;hydron;bis(2-propylpentanoic acid)?
The IUPAC name of disodium;hydride;hydron;bis(2-propylpentanoic acid) (CID 173312027) is disodium;hydride;hydron;bis(2-propylpentanoic acid).
What is the SMILES notation for disodium;hydride;hydron;bis(2-propylpentanoic acid)?
The canonical SMILES for disodium;hydride;hydron;bis(2-propylpentanoic acid) is CCCC(CCC)C(=O)O.CCCC(CCC)C(=O)O.[H+].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;hydron;bis(2-propylpentanoic acid)?
The InChIKey is XEYJXBFQCAFSIK-UHFFFAOYSA-O. The full InChI is InChI=1S/2C8H16O2.2Na.H/c2*1-3-5-7(6-4-2)8(9)10;;;/h2*7H,3-6H2,1-2H3,(H,9,10);;;/q;;2*+1;-1/p+1.
What are the key properties of disodium;hydride;hydron;bis(2-propylpentanoic acid)?
disodium;hydride;hydron;bis(2-propylpentanoic acid) has a molecular weight of 336.42 g/mol, XLogP of -1.19, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;hydron;bis(2-propylpentanoic acid) is sourced from PubChem (CID 173312027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).