2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate

C26H50O6 — CID 7787

IUPAC2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
SMILESCCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCC
InChIInChI=1S/C26H50O6/c1-3-5-7-9-11-13-15-17-25(27)31-23-21-29-19-20-30-22-24-32-26(28)18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyKCNIYOMOUYURBQ-UHFFFAOYSA-N
MW458.68 g/mol
LogP6.39
Rot. Bonds25

About 2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate

2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate (PubChem CID 7787) has the molecular formula C26H50O6 and a molecular weight of 458.68 g/mol. Its IUPAC name is 2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate.

Molecular Properties

Compound Name2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
PubChem CID7787
Molecular FormulaC26H50O6
Molecular Weight458.68 g/mol
Exact Mass458.36
IUPAC Name2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
SMILESCCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCC
InChIInChI=1S/C26H50O6/c1-3-5-7-9-11-13-15-17-25(27)31-23-21-29-19-20-30-22-24-32-26(28)18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
InChIKeyKCNIYOMOUYURBQ-UHFFFAOYSA-N
XLogP6.39
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.68
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
CID 54361642
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292
2-pentoxyethyl hexadecanoate
CID 139604749
2-(2-pentoxyethoxy)ethyl tetradecanoate
CID 139604741
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
2-dodecoxyethyl octadecanoate
CID 23042460
2-(2-butoxyethoxy)ethyl octadecanoate
CID 3022830
2-butoxyethyl octadecanoate;butyl octadecanoate
CID 162130096
2-(2-methoxyethoxy)ethyl dodecanoate
CID 10990309
2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate
CID 150033358

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate?
The IUPAC name of 2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate (CID 7787) is 2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate.
What is the SMILES notation for 2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate?
The canonical SMILES for 2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate is CCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCC.
What is the InChIKey of 2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate?
The InChIKey is KCNIYOMOUYURBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O6/c1-3-5-7-9-11-13-15-17-25(27)31-23-21-29-19-20-30-22-24-32-26(28)18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3.
What are the key properties of 2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate?
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate has a molecular weight of 458.68 g/mol, XLogP of 6.39, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate is sourced from PubChem (CID 7787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).