ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate

C10H19BrO5 — CID 22471885

IUPACethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
SMILESCCOC(=O)COCCOCCOCCBr
InChIInChI=1S/C10H19BrO5/c1-2-16-10(12)9-15-8-7-14-6-5-13-4-3-11/h2-9H2,1H3
InChIKeyNWUDANMVYLBFML-UHFFFAOYSA-N
MW299.16 g/mol
LogP0.99
Rot. Bonds11

About ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate

ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate (PubChem CID 22471885) has the molecular formula C10H19BrO5 and a molecular weight of 299.16 g/mol. Its IUPAC name is ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
PubChem CID22471885
Molecular FormulaC10H19BrO5
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Nameethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
SMILESCCOC(=O)COCCOCCOCCBr
InChIInChI=1S/C10H19BrO5/c1-2-16-10(12)9-15-8-7-14-6-5-13-4-3-11/h2-9H2,1H3
InChIKeyNWUDANMVYLBFML-UHFFFAOYSA-N
XLogP0.99
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590
ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate
CID 14298877
ethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate
CID 20553419
ethyl 2-butoxyacetate
CID 14419651
ethyl 2-(2-sulfanylethoxy)acetate
CID 174809512
ethyl 2-(2-propan-2-yloxyethoxy)acetate
CID 43119673
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
ethyl 2-(3-sulfanylpropoxy)acetate
CID 134600079
tert-butyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 126480423
1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 158591321

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate (CID 22471885) is ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate is CCOC(=O)COCCOCCOCCBr.
What is the InChIKey of ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate?
The InChIKey is NWUDANMVYLBFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO5/c1-2-16-10(12)9-15-8-7-14-6-5-13-4-3-11/h2-9H2,1H3.
What are the key properties of ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate?
ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate has a molecular weight of 299.16 g/mol, XLogP of 0.99, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate is sourced from PubChem (CID 22471885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).