sodium 2-(2-hexadecoxyethoxy)acetate

C20H39NaO4 — CID 23688956

IUPACsodium 2-(2-hexadecoxyethoxy)acetate
SMILESCCCCCCCCCCCCCCCCOCCOCC(=O)[O-].[Na+]
InChIInChI=1S/C20H40O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17-18-24-19-20(21)22;/h2-19H2,1H3,(H,21,22);/q;+1/p-1
InChIKeyDWPSYGLTBCBSMP-UHFFFAOYSA-M
MW366.52 g/mol
LogP1.25
Rot. Bonds20

About sodium 2-(2-hexadecoxyethoxy)acetate

sodium 2-(2-hexadecoxyethoxy)acetate (PubChem CID 23688956) has the molecular formula C20H39NaO4 and a molecular weight of 366.52 g/mol. Its IUPAC name is sodium 2-(2-hexadecoxyethoxy)acetate.

Molecular Properties

Compound Namesodium 2-(2-hexadecoxyethoxy)acetate
PubChem CID23688956
Molecular FormulaC20H39NaO4
Molecular Weight366.52 g/mol
Exact Mass366.27
IUPAC Namesodium 2-(2-hexadecoxyethoxy)acetate
SMILESCCCCCCCCCCCCCCCCOCCOCC(=O)[O-].[Na+]
InChIInChI=1S/C20H40O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17-18-24-19-20(21)22;/h2-19H2,1H3,(H,21,22);/q;+1/p-1
InChIKeyDWPSYGLTBCBSMP-UHFFFAOYSA-M
XLogP1.25
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.52
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-(2-octadecoxyethoxy)acetate
CID 23688971
sodium 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 101104500
sodium;1-decoxydecane;acetate
CID 154928791
disodium;1-octadecoxyoctadecane;carbonate
CID 175470483
disodium;2-dodecoxyacetate;2-(2-hexylnonoxy)acetate
CID 163671974
2-[2-(2-octoxyethoxy)ethoxy]acetamide
CID 57274402
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101104501
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716151
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716129
2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
CID 171838427
2-[2-[2-(carboxylatomethoxy)ethoxy]ethoxy]-2-octyldecanoate
CID 18318706

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-hexadecoxyethoxy)acetate?
The IUPAC name of sodium 2-(2-hexadecoxyethoxy)acetate (CID 23688956) is sodium 2-(2-hexadecoxyethoxy)acetate.
What is the SMILES notation for sodium 2-(2-hexadecoxyethoxy)acetate?
The canonical SMILES for sodium 2-(2-hexadecoxyethoxy)acetate is CCCCCCCCCCCCCCCCOCCOCC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(2-hexadecoxyethoxy)acetate?
The InChIKey is DWPSYGLTBCBSMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H40O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17-18-24-19-20(21)22;/h2-19H2,1H3,(H,21,22);/q;+1/p-1.
What are the key properties of sodium 2-(2-hexadecoxyethoxy)acetate?
sodium 2-(2-hexadecoxyethoxy)acetate has a molecular weight of 366.52 g/mol, XLogP of 1.25, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-hexadecoxyethoxy)acetate is sourced from PubChem (CID 23688956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).