sodium;azane;dodecanoate

C12H26NNaO2 — CID 23690680

IUPACsodium;azane;dodecanoate
SMILESCCCCCCCCCCCC(=O)[O-].N.[Na+]
InChIInChI=1S/C12H24O2.H3N.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2-11H2,1H3,(H,13,14);1H3;/q;;+1/p-1
InChIKeyFJQPCDXSOHOENR-UHFFFAOYSA-M
MW239.33 g/mol
LogP-0.18
Rot. Bonds10

About sodium;azane;dodecanoate

sodium;azane;dodecanoate (PubChem CID 23690680) has the molecular formula C12H26NNaO2 and a molecular weight of 239.33 g/mol. Its IUPAC name is sodium;azane;dodecanoate.

Molecular Properties

Compound Namesodium;azane;dodecanoate
PubChem CID23690680
Molecular FormulaC12H26NNaO2
Molecular Weight239.33 g/mol
Exact Mass239.19
IUPAC Namesodium;azane;dodecanoate
SMILESCCCCCCCCCCCC(=O)[O-].N.[Na+]
InChIInChI=1S/C12H24O2.H3N.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2-11H2,1H3,(H,13,14);1H3;/q;;+1/p-1
InChIKeyFJQPCDXSOHOENR-UHFFFAOYSA-M
XLogP-0.18
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium pentadecanoate
CID 23663638
sodium heptadecanoate
CID 23663632
sodium hentriacontanoate
CID 139987799
sodium;carbane;octanoate
CID 88711912
lithium;sodium;bis(octadecanoate)
CID 159275770
trisodium;octadecanoate;carbonate
CID 162024794
disodium;hexadecanoate;hydride
CID 175497394
potassium;sodium;bis(tetradecanoate)
CID 158769581
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696

Frequently Asked Questions

What is the IUPAC name of sodium;azane;dodecanoate?
The IUPAC name of sodium;azane;dodecanoate (CID 23690680) is sodium;azane;dodecanoate.
What is the SMILES notation for sodium;azane;dodecanoate?
The canonical SMILES for sodium;azane;dodecanoate is CCCCCCCCCCCC(=O)[O-].N.[Na+].
What is the InChIKey of sodium;azane;dodecanoate?
The InChIKey is FJQPCDXSOHOENR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24O2.H3N.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2-11H2,1H3,(H,13,14);1H3;/q;;+1/p-1.
What are the key properties of sodium;azane;dodecanoate?
sodium;azane;dodecanoate has a molecular weight of 239.33 g/mol, XLogP of -0.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;dodecanoate is sourced from PubChem (CID 23690680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).