2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate

C26H52O5 — CID 176892143

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCO
InChIInChI=1S/C26H52O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(28)31-25-24-30-23-22-29-21-20-27/h27H,2-25H2,1H3
InChIKeyBYWRVZBSBZMTAX-UHFFFAOYSA-N
MW444.70 g/mol
LogP6.60
Rot. Bonds26

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate (PubChem CID 176892143) has the molecular formula C26H52O5 and a molecular weight of 444.70 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate
PubChem CID176892143
Molecular FormulaC26H52O5
Molecular Weight444.70 g/mol
Exact Mass444.38
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate
SMILESCCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCO
InChIInChI=1S/C26H52O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(28)31-25-24-30-23-22-29-21-20-27/h27H,2-25H2,1H3
InChIKeyBYWRVZBSBZMTAX-UHFFFAOYSA-N
XLogP6.60
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.70
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139594206
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139595493
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139595421
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139596714
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hexadecanoate
CID 139595451
2-(2-hydroxyethoxy)ethyl octadecanoate;phosphoric acid
CID 172745187
butyl octadecanoate;2-(2-hydroxyethoxy)ethanol
CID 23498291
2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
CID 54361642
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
2-[2-(2-hydroxyethoxy)ethoxy]ethyl (E)-octadec-9-enoate
CID 22179243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate (CID 176892143) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate is CCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate?
The InChIKey is BYWRVZBSBZMTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(28)31-25-24-30-23-22-29-21-20-27/h27H,2-25H2,1H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate has a molecular weight of 444.70 g/mol, XLogP of 6.60, 26 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate is sourced from PubChem (CID 176892143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).