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

C24H45F3O8 — CID 6428153

IUPAC2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
SMILESCCCCCCCCCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C24H45F3O8/c1-2-3-4-5-6-7-8-9-10-29-11-12-30-13-14-31-15-16-32-17-18-33-19-20-34-21-22-35-23(28)24(25,26)27/h2-22H2,1H3
InChIKeyWVCOKZMBNLWPHL-UHFFFAOYSA-N
MW518.61 g/mol
LogP4.33
Rot. Bonds27

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

2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate (PubChem CID 6428153) has the molecular formula C24H45F3O8 and a molecular weight of 518.61 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
PubChem CID6428153
Molecular FormulaC24H45F3O8
Molecular Weight518.61 g/mol
Exact Mass518.31
IUPAC Name2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
SMILESCCCCCCCCCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C24H45F3O8/c1-2-3-4-5-6-7-8-9-10-29-11-12-30-13-14-31-15-16-32-17-18-33-19-20-34-21-22-35-23(28)24(25,26)27/h2-22H2,1H3
InChIKeyWVCOKZMBNLWPHL-UHFFFAOYSA-N
XLogP4.33
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.61
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428147
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-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate (CID 6428153) is 2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate is CCCCCCCCCCOCCOCCOCCOCCOCCOCCOC(=O)C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate?
The InChIKey is WVCOKZMBNLWPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45F3O8/c1-2-3-4-5-6-7-8-9-10-29-11-12-30-13-14-31-15-16-32-17-18-33-19-20-34-21-22-35-23(28)24(25,26)27/h2-22H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate?
2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate has a molecular weight of 518.61 g/mol, XLogP of 4.33, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 6428153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).