sodium;decanoic acid;hydride;tetradecanoic acid

C24H49NaO4 — CID 173314479

IUPACsodium;decanoic acid;hydride;tetradecanoic acid
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C14H28O2.C10H20O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6-7-8-9-10(11)12;;/h2-13H2,1H3,(H,15,16);2-9H2,1H3,(H,11,12);;/q;;+1;-1
InChIKeyKAHWOXUGQPYCQN-UHFFFAOYSA-N
MW424.64 g/mol
LogP5.10
Rot. Bonds20

About sodium;decanoic acid;hydride;tetradecanoic acid

sodium;decanoic acid;hydride;tetradecanoic acid (PubChem CID 173314479) has the molecular formula C24H49NaO4 and a molecular weight of 424.64 g/mol. Its IUPAC name is sodium;decanoic acid;hydride;tetradecanoic acid.

Molecular Properties

Compound Namesodium;decanoic acid;hydride;tetradecanoic acid
PubChem CID173314479
Molecular FormulaC24H49NaO4
Molecular Weight424.64 g/mol
Exact Mass424.35
IUPAC Namesodium;decanoic acid;hydride;tetradecanoic acid
SMILESCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O.[H-].[Na+]
InChIInChI=1S/C14H28O2.C10H20O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6-7-8-9-10(11)12;;/h2-13H2,1H3,(H,15,16);2-9H2,1H3,(H,11,12);;/q;;+1;-1
InChIKeyKAHWOXUGQPYCQN-UHFFFAOYSA-N
XLogP5.10
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.64
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

disodium;hydride;tetradecanoic acid
CID 175149200
disodium;hydride;icosanoic acid
CID 175560905
sodium;dodecanoic acid;hydride
CID 173060618
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;decanoic acid;hydride;tetradecanoic acid?
The IUPAC name of sodium;decanoic acid;hydride;tetradecanoic acid (CID 173314479) is sodium;decanoic acid;hydride;tetradecanoic acid.
What is the SMILES notation for sodium;decanoic acid;hydride;tetradecanoic acid?
The canonical SMILES for sodium;decanoic acid;hydride;tetradecanoic acid is CCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;decanoic acid;hydride;tetradecanoic acid?
The InChIKey is KAHWOXUGQPYCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C10H20O2.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6-7-8-9-10(11)12;;/h2-13H2,1H3,(H,15,16);2-9H2,1H3,(H,11,12);;/q;;+1;-1.
What are the key properties of sodium;decanoic acid;hydride;tetradecanoic acid?
sodium;decanoic acid;hydride;tetradecanoic acid has a molecular weight of 424.64 g/mol, XLogP of 5.10, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;decanoic acid;hydride;tetradecanoic acid is sourced from PubChem (CID 173314479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).