sodium;butanoic acid;hydride;hydrochloride

C4H10ClNaO2 — CID 174274884

IUPACsodium;butanoic acid;hydride;hydrochloride
SMILESCCCC(=O)O.Cl.[H-].[Na+]
InChIInChI=1S/C4H8O2.ClH.Na.H/c1-2-3-4(5)6;;;/h2-3H2,1H3,(H,5,6);1H;;/q;;+1;-1
InChIKeyCLQLNWXRTZQZCB-UHFFFAOYSA-N
MW148.56 g/mol
LogP-1.59
Rot. Bonds2

About sodium;butanoic acid;hydride;hydrochloride

sodium;butanoic acid;hydride;hydrochloride (PubChem CID 174274884) has the molecular formula C4H10ClNaO2 and a molecular weight of 148.56 g/mol. Its IUPAC name is sodium;butanoic acid;hydride;hydrochloride.

Molecular Properties

Compound Namesodium;butanoic acid;hydride;hydrochloride
PubChem CID174274884
Molecular FormulaC4H10ClNaO2
Molecular Weight148.56 g/mol
Exact Mass148.03
IUPAC Namesodium;butanoic acid;hydride;hydrochloride
SMILESCCCC(=O)O.Cl.[H-].[Na+]
InChIInChI=1S/C4H8O2.ClH.Na.H/c1-2-3-4(5)6;;;/h2-3H2,1H3,(H,5,6);1H;;/q;;+1;-1
InChIKeyCLQLNWXRTZQZCB-UHFFFAOYSA-N
XLogP-1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.56
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

butanoic acid;dihydrochloride
CID 173423767
calcium;butanoic acid;hydride;titanium
CID 173386506
sodium;butanoic acid;methanolate
CID 157280251
butanoic acid;heptahydrofluoride
CID 172757824
dialuminum;butanoic acid
CID 175897781
CID 87408506
CID 87408506
butanoic acid;copper
CID 57425269
butanoic acid;zirconium
CID 87090666
butanoic acid;mercury
CID 87059277
butanoic acid;praseodymium
CID 88777452
azane;butanoic acid
CID 175057491
CID 88693438
CID 88693438

Frequently Asked Questions

What is the IUPAC name of sodium;butanoic acid;hydride;hydrochloride?
The IUPAC name of sodium;butanoic acid;hydride;hydrochloride (CID 174274884) is sodium;butanoic acid;hydride;hydrochloride.
What is the SMILES notation for sodium;butanoic acid;hydride;hydrochloride?
The canonical SMILES for sodium;butanoic acid;hydride;hydrochloride is CCCC(=O)O.Cl.[H-].[Na+].
What is the InChIKey of sodium;butanoic acid;hydride;hydrochloride?
The InChIKey is CLQLNWXRTZQZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.ClH.Na.H/c1-2-3-4(5)6;;;/h2-3H2,1H3,(H,5,6);1H;;/q;;+1;-1.
What are the key properties of sodium;butanoic acid;hydride;hydrochloride?
sodium;butanoic acid;hydride;hydrochloride has a molecular weight of 148.56 g/mol, XLogP of -1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;butanoic acid;hydride;hydrochloride is sourced from PubChem (CID 174274884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).