disodium;butanoate;hydroxide

C4H8Na2O3 — CID 173219323

IUPACdisodium;butanoate;hydroxide
SMILESCCCC(=O)[O-].[Na+].[Na+].[OH-]
InChIInChI=1S/C4H8O2.2Na.H2O/c1-2-3-4(5)6;;;/h2-3H2,1H3,(H,5,6);;;1H2/q;2*+1;/p-2
InChIKeyHQLHMDNSKKBZLS-UHFFFAOYSA-L
MW150.08 g/mol
LogP-6.63
Rot. Bonds2

About disodium;butanoate;hydroxide

disodium;butanoate;hydroxide (PubChem CID 173219323) has the molecular formula C4H8Na2O3 and a molecular weight of 150.08 g/mol. Its IUPAC name is disodium;butanoate;hydroxide.

Molecular Properties

Compound Namedisodium;butanoate;hydroxide
PubChem CID173219323
Molecular FormulaC4H8Na2O3
Molecular Weight150.08 g/mol
Exact Mass150.03
IUPAC Namedisodium;butanoate;hydroxide
SMILESCCCC(=O)[O-].[Na+].[Na+].[OH-]
InChIInChI=1S/C4H8O2.2Na.H2O/c1-2-3-4(5)6;;;/h2-3H2,1H3,(H,5,6);;;1H2/q;2*+1;/p-2
InChIKeyHQLHMDNSKKBZLS-UHFFFAOYSA-L
XLogP-6.63
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.08
LogP ≤ 5-6.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butanoate;hafnium(4+);trihydroxide
CID 159888160
tetrapotassium;butanoate
CID 140982885
silver butanoate
CID 14944495
strontium butanoate
CID 19035288
butanoate;bis(rhodium(3+))
CID 173415846
butanoate;ytterbium(2+)
CID 88777454
potassium butanoate
CID 23677461
butanoate;tin(4+)
CID 159447903
magnesium butanoate
CID 6453218
sodium;benzene;butanoate
CID 160864894
butanoate;silicon(4+);titanium(4+)
CID 158800899
butanoate;titanium(4+);acetate
CID 159866524

Frequently Asked Questions

What is the IUPAC name of disodium;butanoate;hydroxide?
The IUPAC name of disodium;butanoate;hydroxide (CID 173219323) is disodium;butanoate;hydroxide.
What is the SMILES notation for disodium;butanoate;hydroxide?
The canonical SMILES for disodium;butanoate;hydroxide is CCCC(=O)[O-].[Na+].[Na+].[OH-].
What is the InChIKey of disodium;butanoate;hydroxide?
The InChIKey is HQLHMDNSKKBZLS-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8O2.2Na.H2O/c1-2-3-4(5)6;;;/h2-3H2,1H3,(H,5,6);;;1H2/q;2*+1;/p-2.
What are the key properties of disodium;butanoate;hydroxide?
disodium;butanoate;hydroxide has a molecular weight of 150.08 g/mol, XLogP of -6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;butanoate;hydroxide is sourced from PubChem (CID 173219323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).