2-(2-hydroxyethoxy)ethyl octadecanoate

C22H44O4 — CID 7788

IUPAC2-(2-hydroxyethoxy)ethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCOCCO
InChIInChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)26-21-20-25-19-18-23/h23H,2-21H2,1H3
InChIKeyPWVUXRBUUYZMKM-UHFFFAOYSA-N
MW372.59 g/mol
LogP5.80
Rot. Bonds21

About 2-(2-hydroxyethoxy)ethyl octadecanoate

2-(2-hydroxyethoxy)ethyl octadecanoate (PubChem CID 7788) has the molecular formula C22H44O4 and a molecular weight of 372.59 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl octadecanoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl octadecanoate
PubChem CID7788
Molecular FormulaC22H44O4
Molecular Weight372.59 g/mol
Exact Mass372.32
IUPAC Name2-(2-hydroxyethoxy)ethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCOCCO
InChIInChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)26-21-20-25-19-18-23/h23H,2-21H2,1H3
InChIKeyPWVUXRBUUYZMKM-UHFFFAOYSA-N
XLogP5.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(2-hydroxyethoxy)ethyl octadecanoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl octadecanoate (CID 7788) is 2-(2-hydroxyethoxy)ethyl octadecanoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl octadecanoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl octadecanoate?
The InChIKey is PWVUXRBUUYZMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)26-21-20-25-19-18-23/h23H,2-21H2,1H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl octadecanoate?
2-(2-hydroxyethoxy)ethyl octadecanoate has a molecular weight of 372.59 g/mol, XLogP of 5.80, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl octadecanoate is sourced from PubChem (CID 7788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).