1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one

C13H25BrO6 — CID 158591321

IUPAC1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
SMILESCC(=O)COCCOCCOCCOCCOCCBr
InChIInChI=1S/C13H25BrO6/c1-13(15)12-20-11-10-19-9-8-18-7-6-17-5-4-16-3-2-14/h2-12H2,1H3
InChIKeyIUMCDUQELBIGFS-UHFFFAOYSA-N
MW357.24 g/mol
LogP1.05
Rot. Bonds16

About 1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one

1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one (PubChem CID 158591321) has the molecular formula C13H25BrO6 and a molecular weight of 357.24 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
PubChem CID158591321
Molecular FormulaC13H25BrO6
Molecular Weight357.24 g/mol
Exact Mass356.08
IUPAC Name1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
SMILESCC(=O)COCCOCCOCCOCCOCCBr
InChIInChI=1S/C13H25BrO6/c1-13(15)12-20-11-10-19-9-8-18-7-6-17-5-4-16-3-2-14/h2-12H2,1H3
InChIKeyIUMCDUQELBIGFS-UHFFFAOYSA-N
XLogP1.05
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 51.05
H-Bond Donors ≤ 50
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

1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one
CID 59109167
1-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 142541911
2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
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2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide
CID 154729285
1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-one
CID 170040791
ethane;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 155740359
1-[2-(3,3-dimethylbutoxy)ethoxy]propan-2-one
CID 157295783
1-[2-[2-[2-[2-(iodoamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 134579487
ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 22471885
tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 126480423
2-(2-oxopropoxy)ethyl carbonochloridate
CID 165028645

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one?
The IUPAC name of 1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one (CID 158591321) is 1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one.
What is the SMILES notation for 1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one?
The canonical SMILES for 1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one is CC(=O)COCCOCCOCCOCCOCCBr.
What is the InChIKey of 1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one?
The InChIKey is IUMCDUQELBIGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrO6/c1-13(15)12-20-11-10-19-9-8-18-7-6-17-5-4-16-3-2-14/h2-12H2,1H3.
What are the key properties of 1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one?
1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one has a molecular weight of 357.24 g/mol, XLogP of 1.05, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one is sourced from PubChem (CID 158591321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).