lithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid

C14H28LiNaO4 — CID 174968836

IUPAClithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid
SMILESCCCCCCCCCCCOC(=O)CC(=O)O.[H-].[H-].[Li+].[Na+]
InChIInChI=1S/C14H26O4.Li.Na.2H/c1-2-3-4-5-6-7-8-9-10-11-18-14(17)12-13(15)16;;;;/h2-12H2,1H3,(H,15,16);;;;/q;2*+1;2*-1
InChIKeyFSAUENIMEATYSR-UHFFFAOYSA-N
MW290.30 g/mol
LogP-2.23
Rot. Bonds12

About lithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid

lithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid (PubChem CID 174968836) has the molecular formula C14H28LiNaO4 and a molecular weight of 290.30 g/mol. Its IUPAC name is lithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid.

Molecular Properties

Compound Namelithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid
PubChem CID174968836
Molecular FormulaC14H28LiNaO4
Molecular Weight290.30 g/mol
Exact Mass290.20
IUPAC Namelithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid
SMILESCCCCCCCCCCCOC(=O)CC(=O)O.[H-].[H-].[Li+].[Na+]
InChIInChI=1S/C14H26O4.Li.Na.2H/c1-2-3-4-5-6-7-8-9-10-11-18-14(17)12-13(15)16;;;;/h2-12H2,1H3,(H,15,16);;;;/q;2*+1;2*-1
InChIKeyFSAUENIMEATYSR-UHFFFAOYSA-N
XLogP-2.23
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 5-2.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 174967959
calcium;hydride;3-oxo-3-undecoxypropanoic acid
CID 174967752
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CID 21201188
3-[(Z)-octadec-9-enoxy]-3-oxopropanoic acid
CID 162351313
3-[6-(2-carboxyacetyl)oxyhexoxy]-3-oxopropanoic acid
CID 172802293
dioctyl propanedioate;titanium
CID 174779164
sodium;dodecyl 2-chloroacetate;hydride
CID 175130022
sodium;6-decoxy-6-oxohexanoic acid;hydride
CID 175161787
3-(11-bromoundecoxy)-3-oxopropanoic acid;butane
CID 88669054
dodecyl 3-oxobutanoate;iridium(3+)
CID 159927112
octyl propanoate;propanoic acid
CID 87090257
sodium;hydride;tetradecyl 2-hydroxyacetate
CID 174584352

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid?
The IUPAC name of lithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid (CID 174968836) is lithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid.
What is the SMILES notation for lithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid?
The canonical SMILES for lithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid is CCCCCCCCCCCOC(=O)CC(=O)O.[H-].[H-].[Li+].[Na+].
What is the InChIKey of lithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid?
The InChIKey is FSAUENIMEATYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4.Li.Na.2H/c1-2-3-4-5-6-7-8-9-10-11-18-14(17)12-13(15)16;;;;/h2-12H2,1H3,(H,15,16);;;;/q;2*+1;2*-1.
What are the key properties of lithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid?
lithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid has a molecular weight of 290.30 g/mol, XLogP of -2.23, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;hydride;3-oxo-3-undecoxypropanoic acid is sourced from PubChem (CID 174968836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).