sodium;dodecanoate;ethane-1,2-diol

C14H29NaO4 — CID 23720166

IUPACsodium;dodecanoate;ethane-1,2-diol
SMILESCCCCCCCCCCCC(=O)[O-].OCCO.[Na+]
InChIInChI=1S/C12H24O2.C2H6O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3-1-2-4;/h2-11H2,1H3,(H,13,14);3-4H,1-2H2;/q;;+1/p-1
InChIKeyLWHVCHAUACZFOE-UHFFFAOYSA-M
MW284.37 g/mol
LogP-1.37
Rot. Bonds11

About sodium;dodecanoate;ethane-1,2-diol

sodium;dodecanoate;ethane-1,2-diol (PubChem CID 23720166) has the molecular formula C14H29NaO4 and a molecular weight of 284.37 g/mol. Its IUPAC name is sodium;dodecanoate;ethane-1,2-diol.

Molecular Properties

Compound Namesodium;dodecanoate;ethane-1,2-diol
PubChem CID23720166
Molecular FormulaC14H29NaO4
Molecular Weight284.37 g/mol
Exact Mass284.20
IUPAC Namesodium;dodecanoate;ethane-1,2-diol
SMILESCCCCCCCCCCCC(=O)[O-].OCCO.[Na+]
InChIInChI=1S/C12H24O2.C2H6O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3-1-2-4;/h2-11H2,1H3,(H,13,14);3-4H,1-2H2;/q;;+1/p-1
InChIKeyLWHVCHAUACZFOE-UHFFFAOYSA-M
XLogP-1.37
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;dodecan-1-ol;octadecanoate
CID 174506535
sodium heptadecanoate
CID 23663632
sodium pentadecanoate
CID 23663638
sodium hentriacontanoate
CID 139987799
sodium;azane;dodecanoate
CID 23690680
sodium;carbane;octanoate
CID 88711912
disodium;hexadecanoate;hydride
CID 175497394
trisodium;octadecanoate;carbonate
CID 162024794
lithium;sodium;bis(octadecanoate)
CID 159275770
potassium;sodium;bis(tetradecanoate)
CID 158769581
CID 23623890
CID 23623890
octadecanoate
CID 3033836

Frequently Asked Questions

What is the IUPAC name of sodium;dodecanoate;ethane-1,2-diol?
The IUPAC name of sodium;dodecanoate;ethane-1,2-diol (CID 23720166) is sodium;dodecanoate;ethane-1,2-diol.
What is the SMILES notation for sodium;dodecanoate;ethane-1,2-diol?
The canonical SMILES for sodium;dodecanoate;ethane-1,2-diol is CCCCCCCCCCCC(=O)[O-].OCCO.[Na+].
What is the InChIKey of sodium;dodecanoate;ethane-1,2-diol?
The InChIKey is LWHVCHAUACZFOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24O2.C2H6O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3-1-2-4;/h2-11H2,1H3,(H,13,14);3-4H,1-2H2;/q;;+1/p-1.
What are the key properties of sodium;dodecanoate;ethane-1,2-diol?
sodium;dodecanoate;ethane-1,2-diol has a molecular weight of 284.37 g/mol, XLogP of -1.37, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecanoate;ethane-1,2-diol is sourced from PubChem (CID 23720166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).