2-(2-butoxyethoxy)ethyl octadecanoate

C26H52O4 — CID 3022830

IUPAC2-(2-butoxyethoxy)ethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC
InChIInChI=1S/C26H52O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(27)30-25-24-29-23-22-28-21-6-4-2/h3-25H2,1-2H3
InChIKeyJFLVPDTYNNSVGH-UHFFFAOYSA-N
MW428.70 g/mol
LogP7.62
Rot. Bonds25

About 2-(2-butoxyethoxy)ethyl octadecanoate

2-(2-butoxyethoxy)ethyl octadecanoate (PubChem CID 3022830) has the molecular formula C26H52O4 and a molecular weight of 428.70 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethyl octadecanoate.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethyl octadecanoate
PubChem CID3022830
Molecular FormulaC26H52O4
Molecular Weight428.70 g/mol
Exact Mass428.39
IUPAC Name2-(2-butoxyethoxy)ethyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC
InChIInChI=1S/C26H52O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(27)30-25-24-29-23-22-28-21-6-4-2/h3-25H2,1-2H3
InChIKeyJFLVPDTYNNSVGH-UHFFFAOYSA-N
XLogP7.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.70
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butoxyethyl octadecanoate;butyl octadecanoate
CID 162130096
6-O-(2-butoxyethyl) 1-O-hexyl hexanedioate
CID 91692824
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
2-pentoxyethyl hexadecanoate
CID 139604749
2-(2-pentoxyethoxy)ethyl tetradecanoate
CID 139604741
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
2-dodecoxyethyl octadecanoate
CID 23042460
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
CID 54361642
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292
2-(2-butoxyethoxy)ethyl pentanoate
CID 57063058

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)ethyl octadecanoate?
The IUPAC name of 2-(2-butoxyethoxy)ethyl octadecanoate (CID 3022830) is 2-(2-butoxyethoxy)ethyl octadecanoate.
What is the SMILES notation for 2-(2-butoxyethoxy)ethyl octadecanoate?
The canonical SMILES for 2-(2-butoxyethoxy)ethyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCCC.
What is the InChIKey of 2-(2-butoxyethoxy)ethyl octadecanoate?
The InChIKey is JFLVPDTYNNSVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(27)30-25-24-29-23-22-28-21-6-4-2/h3-25H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxy)ethyl octadecanoate?
2-(2-butoxyethoxy)ethyl octadecanoate has a molecular weight of 428.70 g/mol, XLogP of 7.62, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethyl octadecanoate is sourced from PubChem (CID 3022830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).