sodium 2-(2-octadecoxyethoxy)acetate

C22H43NaO4 — CID 23688971

IUPACsodium 2-(2-octadecoxyethoxy)acetate
SMILESCCCCCCCCCCCCCCCCCCOCCOCC(=O)[O-].[Na+]
InChIInChI=1S/C22H44O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-20-26-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1
InChIKeyGRBSWOWRRUUEOA-UHFFFAOYSA-M
MW394.57 g/mol
LogP2.04
Rot. Bonds22

About sodium 2-(2-octadecoxyethoxy)acetate

sodium 2-(2-octadecoxyethoxy)acetate (PubChem CID 23688971) has the molecular formula C22H43NaO4 and a molecular weight of 394.57 g/mol. Its IUPAC name is sodium 2-(2-octadecoxyethoxy)acetate.

Molecular Properties

Compound Namesodium 2-(2-octadecoxyethoxy)acetate
PubChem CID23688971
Molecular FormulaC22H43NaO4
Molecular Weight394.57 g/mol
Exact Mass394.31
IUPAC Namesodium 2-(2-octadecoxyethoxy)acetate
SMILESCCCCCCCCCCCCCCCCCCOCCOCC(=O)[O-].[Na+]
InChIInChI=1S/C22H44O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-20-26-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1
InChIKeyGRBSWOWRRUUEOA-UHFFFAOYSA-M
XLogP2.04
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.57
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium 2-(2-octadecoxyethoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 2-(2-hexadecoxyethoxy)acetate
CID 23688956
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-octadecoxyethoxy)acetate?
The IUPAC name of sodium 2-(2-octadecoxyethoxy)acetate (CID 23688971) is sodium 2-(2-octadecoxyethoxy)acetate.
What is the SMILES notation for sodium 2-(2-octadecoxyethoxy)acetate?
The canonical SMILES for sodium 2-(2-octadecoxyethoxy)acetate is CCCCCCCCCCCCCCCCCCOCCOCC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(2-octadecoxyethoxy)acetate?
The InChIKey is GRBSWOWRRUUEOA-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H44O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-20-26-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1.
What are the key properties of sodium 2-(2-octadecoxyethoxy)acetate?
sodium 2-(2-octadecoxyethoxy)acetate has a molecular weight of 394.57 g/mol, XLogP of 2.04, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-octadecoxyethoxy)acetate is sourced from PubChem (CID 23688971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).