sodium;dodecanoic acid;hydride

C12H25NaO2 — CID 173060618

IUPACsodium;dodecanoic acid;hydride
SMILESCCCCCCCCCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C12H24O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2-11H2,1H3,(H,13,14);;/q;+1;-1
InChIKeyCLTGHKIEPXSHLZ-UHFFFAOYSA-N
MW224.32 g/mol
LogP1.11
Rot. Bonds10

About sodium;dodecanoic acid;hydride

sodium;dodecanoic acid;hydride (PubChem CID 173060618) has the molecular formula C12H25NaO2 and a molecular weight of 224.32 g/mol. Its IUPAC name is sodium;dodecanoic acid;hydride.

Molecular Properties

Compound Namesodium;dodecanoic acid;hydride
PubChem CID173060618
Molecular FormulaC12H25NaO2
Molecular Weight224.32 g/mol
Exact Mass224.18
IUPAC Namesodium;dodecanoic acid;hydride
SMILESCCCCCCCCCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C12H24O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2-11H2,1H3,(H,13,14);;/q;+1;-1
InChIKeyCLTGHKIEPXSHLZ-UHFFFAOYSA-N
XLogP1.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 173314479
disodium;hydride;tetradecanoic acid
CID 175149200
disodium;hydride;icosanoic acid
CID 175560905
disodium;hexadecanoic acid;hydride;hydrate
CID 174056425
sodium;hydride;octanoic acid;selane
CID 174677652
barium(2+);hydride;tridecanoic acid
CID 174792677
calcium;hydride;tritriacontanoic acid
CID 173321714
dimagnesium;hydride;octadecanoic acid;tetradecanoic acid
CID 174909227
calcium;hydride;nonacosanoic acid
CID 173321722
calcium;hydride;bis(octanoic acid)
CID 174951959
calcium;dodecanoic acid;hydride
CID 172998116
sodium;carbanide;tetradecanoic acid
CID 160620546

Frequently Asked Questions

What is the IUPAC name of sodium;dodecanoic acid;hydride?
The IUPAC name of sodium;dodecanoic acid;hydride (CID 173060618) is sodium;dodecanoic acid;hydride.
What is the SMILES notation for sodium;dodecanoic acid;hydride?
The canonical SMILES for sodium;dodecanoic acid;hydride is CCCCCCCCCCCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;dodecanoic acid;hydride?
The InChIKey is CLTGHKIEPXSHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2-11H2,1H3,(H,13,14);;/q;+1;-1.
What are the key properties of sodium;dodecanoic acid;hydride?
sodium;dodecanoic acid;hydride has a molecular weight of 224.32 g/mol, XLogP of 1.11, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecanoic acid;hydride is sourced from PubChem (CID 173060618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).