2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate

C19H37BrO9 — CID 11038281

IUPAC2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate
SMILESCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(C)(C)Br
InChIInChI=1S/C19H37BrO9/c1-19(2,20)18(21)29-17-16-28-15-14-27-13-12-26-11-10-25-9-8-24-7-6-23-5-4-22-3/h4-17H2,1-3H3
InChIKeyWHNVDKXBAJHUAO-UHFFFAOYSA-N
MW489.40 g/mol
LogP1.45
Rot. Bonds22

About 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate

2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate (PubChem CID 11038281) has the molecular formula C19H37BrO9 and a molecular weight of 489.40 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate
PubChem CID11038281
Molecular FormulaC19H37BrO9
Molecular Weight489.40 g/mol
Exact Mass488.16
IUPAC Name2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate
SMILESCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(C)(C)Br
InChIInChI=1S/C19H37BrO9/c1-19(2,20)18(21)29-17-16-28-15-14-27-13-12-26-11-10-25-9-8-24-7-6-23-5-4-22-3/h4-17H2,1-3H3
InChIKeyWHNVDKXBAJHUAO-UHFFFAOYSA-N
XLogP1.45
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.40
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 91716907
2-[[3-[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxy]-2,2-bis[2-(2-bromo-2-methylpropanoyl)oxyethoxymethoxymethyl]propoxy]methoxy]ethyl 2-bromo-2-methylpropanoate
CID 159253551
2-(oxiran-2-ylmethoxy)ethyl 2-bromo-2-methylpropanoate
CID 122573053
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91730617
3-(2-methoxyethoxy)propyl 2-amino-2-methylpropanoate
CID 103403303
[1-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-2-oxo-1-phosphonoethyl]phosphonic acid
CID 57249167
2-(2-methoxyethoxy)ethyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate
CID 118000170
2-(2-diazoethoxy)ethyl 2-bromo-2-methylpropanoate
CID 101496287
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(aminomethyl)-2-ethylbutanoate
CID 104563189
tris[2-[2-(2-methoxyethoxy)ethoxy]ethyl] 2-hydroxypropane-1,2,3-tricarboxylate
CID 139400465
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
2-[2-(2-bromo-2-methylpropanoyl)oxyethylsulfanyl]ethyl 2-bromo-2-methylpropanoate
CID 102204004

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate?
The IUPAC name of 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate (CID 11038281) is 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate is COCCOCCOCCOCCOCCOCCOCCOC(=O)C(C)(C)Br.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate?
The InChIKey is WHNVDKXBAJHUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37BrO9/c1-19(2,20)18(21)29-17-16-28-15-14-27-13-12-26-11-10-25-9-8-24-7-6-23-5-4-22-3/h4-17H2,1-3H3.
What are the key properties of 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate?
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate has a molecular weight of 489.40 g/mol, XLogP of 1.45, 22 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-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-bromo-2-methylpropanoate is sourced from PubChem (CID 11038281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).