2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate

C26H49F3O9 — CID 6428147

IUPAC2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
SMILESCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C26H49F3O9/c1-2-3-4-5-6-7-8-9-10-31-11-12-32-13-14-33-15-16-34-17-18-35-19-20-36-21-22-37-23-24-38-25(30)26(27,28)29/h2-24H2,1H3
InChIKeyJXZNCKAJDHXPHL-UHFFFAOYSA-N
MW562.66 g/mol
LogP4.35
Rot. Bonds30

About 2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate

2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate (PubChem CID 6428147) has the molecular formula C26H49F3O9 and a molecular weight of 562.66 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
PubChem CID6428147
Molecular FormulaC26H49F3O9
Molecular Weight562.66 g/mol
Exact Mass562.33
IUPAC Name2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
SMILESCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C26H49F3O9/c1-2-3-4-5-6-7-8-9-10-31-11-12-32-13-14-33-15-16-34-17-18-35-19-20-36-21-22-37-23-24-38-25(30)26(27,28)29/h2-24H2,1H3
InChIKeyJXZNCKAJDHXPHL-UHFFFAOYSA-N
XLogP4.35
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.66
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428153
2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 526892
octyl 2,2,2-trifluoroacetate
CID 520219
tricosyl 2,2,2-trifluoroacetate
CID 14574257
tetracosyl 2,2,2-trifluoroacetate
CID 91692950
sodium;dodecyl 2,2,2-trifluoroacetate;hydride
CID 175457015
4-[4-(2,2,2-trifluoroacetyl)oxybutoxy]butyl 2,2,2-trifluoroacetate
CID 91692720
2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 10799452
2-ethoxyethyl 2,2,2-trifluoroacetate
CID 71672713
2-(2-decoxyethoxy)ethyl acetate
CID 526732
dihexyl 2,2-difluoropropanedioate
CID 154336764
2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
CID 88970613

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate (CID 6428147) is 2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate is CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate?
The InChIKey is JXZNCKAJDHXPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49F3O9/c1-2-3-4-5-6-7-8-9-10-31-11-12-32-13-14-33-15-16-34-17-18-35-19-20-36-21-22-37-23-24-38-25(30)26(27,28)29/h2-24H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate?
2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate has a molecular weight of 562.66 g/mol, XLogP of 4.35, 30 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 6428147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).