sodium;carbanide;tetradecanoic acid

C15H31NaO2 — CID 160620546

IUPACsodium;carbanide;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.[CH3-].[Na+]
InChIInChI=1S/C14H28O2.CH3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h2-13H2,1H3,(H,15,16);1H3;/q;-1;+1
InChIKeyIZTJBRXDDBIKEF-UHFFFAOYSA-N
MW266.40 g/mol
LogP2.23
Rot. Bonds12

About sodium;carbanide;tetradecanoic acid

sodium;carbanide;tetradecanoic acid (PubChem CID 160620546) has the molecular formula C15H31NaO2 and a molecular weight of 266.40 g/mol. Its IUPAC name is sodium;carbanide;tetradecanoic acid.

Molecular Properties

Compound Namesodium;carbanide;tetradecanoic acid
PubChem CID160620546
Molecular FormulaC15H31NaO2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Namesodium;carbanide;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.[CH3-].[Na+]
InChIInChI=1S/C14H28O2.CH3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h2-13H2,1H3,(H,15,16);1H3;/q;-1;+1
InChIKeyIZTJBRXDDBIKEF-UHFFFAOYSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sodium;decanoic acid;hydride;tetradecanoic acid
CID 173314479
disodium;hydride;tetradecanoic acid
CID 175149200
disodium;hydride;icosanoic acid
CID 175560905
sodium;dodecanoic acid;hydride
CID 173060618
decanedioic acid;dodecane
CID 159822517
dodecanoic acid
CID 158803546
decanoic acid;pentadecanoic acid
CID 157343657
henicosane;tetracontanoic acid
CID 175935348
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096

Frequently Asked Questions

What is the IUPAC name of sodium;carbanide;tetradecanoic acid?
The IUPAC name of sodium;carbanide;tetradecanoic acid (CID 160620546) is sodium;carbanide;tetradecanoic acid.
What is the SMILES notation for sodium;carbanide;tetradecanoic acid?
The canonical SMILES for sodium;carbanide;tetradecanoic acid is CCCCCCCCCCCCCC(=O)O.[CH3-].[Na+].
What is the InChIKey of sodium;carbanide;tetradecanoic acid?
The InChIKey is IZTJBRXDDBIKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.CH3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h2-13H2,1H3,(H,15,16);1H3;/q;-1;+1.
What are the key properties of sodium;carbanide;tetradecanoic acid?
sodium;carbanide;tetradecanoic acid has a molecular weight of 266.40 g/mol, XLogP of 2.23, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbanide;tetradecanoic acid is sourced from PubChem (CID 160620546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).