2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate

C24H48O5 — CID 150033358

IUPAC2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCC
InChIInChI=1S/C24H48O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-24(25)29-23-22-28-21-20-27-19-18-26-4-2/h3-23H2,1-2H3
InChIKeyDHSTVJKVWXNWDK-UHFFFAOYSA-N
MW416.64 g/mol
LogP6.08
Rot. Bonds24

About 2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate

2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate (PubChem CID 150033358) has the molecular formula C24H48O5 and a molecular weight of 416.64 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate
PubChem CID150033358
Molecular FormulaC24H48O5
Molecular Weight416.64 g/mol
Exact Mass416.35
IUPAC Name2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCC
InChIInChI=1S/C24H48O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-24(25)29-23-22-28-21-20-27-19-18-26-4-2/h3-23H2,1-2H3
InChIKeyDHSTVJKVWXNWDK-UHFFFAOYSA-N
XLogP6.08
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.64
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate
CID 91739044
2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
CID 54361642
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292
5-O-(2-ethoxyethyl) 1-O-heptyl pentanedioate
CID 91706629
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
2-dodecoxyethyl octadecanoate
CID 23042460
2-pentoxyethyl hexadecanoate
CID 139604749
2-(2-pentoxyethoxy)ethyl tetradecanoate
CID 139604741
2-(2-butoxyethoxy)ethyl octadecanoate
CID 3022830

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate?
The IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate (CID 150033358) is 2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate is CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCC.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate?
The InChIKey is DHSTVJKVWXNWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-24(25)29-23-22-28-21-20-27-19-18-26-4-2/h3-23H2,1-2H3.
What are the key properties of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate?
2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate has a molecular weight of 416.64 g/mol, XLogP of 6.08, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate is sourced from PubChem (CID 150033358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).