2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

C12H23BrO7 — CID 126843434

IUPAC2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCOCCOCCOCCBr
InChIInChI=1S/C12H23BrO7/c13-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12(14)15/h1-11H2,(H,14,15)
InChIKeyFOQREKYOJJILHI-UHFFFAOYSA-N
MW359.21 g/mol
LogP0.55
Rot. Bonds16

About 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 126843434) has the molecular formula C12H23BrO7 and a molecular weight of 359.21 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID126843434
Molecular FormulaC12H23BrO7
Molecular Weight359.21 g/mol
Exact Mass358.06
IUPAC Name2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCOCCOCCOCCBr
InChIInChI=1S/C12H23BrO7/c13-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12(14)15/h1-11H2,(H,14,15)
InChIKeyFOQREKYOJJILHI-UHFFFAOYSA-N
XLogP0.55
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
2-[2-(2-methoxyethoxy)ethoxy]acetic acid;zinc
CID 87575071
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 155415114
1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 158591321
2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide
CID 154729285
2-[2-(carboxymethoxy)ethoxy]acetic acid;sulfuric acid
CID 90826502
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722
2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethyl carbamate
CID 170160421
acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid
CID 172772523
2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86084927
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
2-[2-[2-(carboxyamino)oxyethoxy]ethoxy]acetic acid
CID 90201502

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (CID 126843434) is 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is O=C(O)COCCOCCOCCOCCOCCBr.
What is the InChIKey of 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is FOQREKYOJJILHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO7/c13-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12(14)15/h1-11H2,(H,14,15).
What are the key properties of 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 359.21 g/mol, XLogP of 0.55, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 126843434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).