sodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate

C14H27NaO9 — CID 165437635

IUPACsodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
SMILESO=C([O-])COCCOCCOCCOCCOCCOCCO.[Na+]
InChIInChI=1S/C14H28O9.Na/c15-1-2-18-3-4-19-5-6-20-7-8-21-9-10-22-11-12-23-13-14(16)17;/h15H,1-13H2,(H,16,17);/q;+1/p-1
InChIKeyHGHJIPZHUYNLSM-UHFFFAOYSA-M
MW362.35 g/mol
LogP-5.17
Rot. Bonds19

About sodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate

sodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate (PubChem CID 165437635) has the molecular formula C14H27NaO9 and a molecular weight of 362.35 g/mol. Its IUPAC name is sodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Namesodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
PubChem CID165437635
Molecular FormulaC14H27NaO9
Molecular Weight362.35 g/mol
Exact Mass362.16
IUPAC Namesodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
SMILESO=C([O-])COCCOCCOCCOCCOCCOCCO.[Na+]
InChIInChI=1S/C14H28O9.Na/c15-1-2-18-3-4-19-5-6-20-7-8-21-9-10-22-11-12-23-13-14(16)17;/h15H,1-13H2,(H,16,17);/q;+1/p-1
InChIKeyHGHJIPZHUYNLSM-UHFFFAOYSA-M
XLogP-5.17
TPSA115.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 5-5.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The IUPAC name of sodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate (CID 165437635) is sodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate.
What is the SMILES notation for sodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The canonical SMILES for sodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate is O=C([O-])COCCOCCOCCOCCOCCOCCO.[Na+].
What is the InChIKey of sodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
The InChIKey is HGHJIPZHUYNLSM-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H28O9.Na/c15-1-2-18-3-4-19-5-6-20-7-8-21-9-10-22-11-12-23-13-14(16)17;/h15H,1-13H2,(H,16,17);/q;+1/p-1.
What are the key properties of sodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate?
sodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 362.35 g/mol, XLogP of -5.17, 19 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 165437635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).