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

C12H24O5 — CID 14298877

IUPACethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate
SMILESCCCCOCCOCCOCC(=O)OCC
InChIInChI=1S/C12H24O5/c1-3-5-6-14-7-8-15-9-10-16-11-12(13)17-4-2/h3-11H2,1-2H3
InChIKeyPHLJPHMXJFTJQU-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.40
Rot. Bonds12

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

ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate (PubChem CID 14298877) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate
PubChem CID14298877
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Nameethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate
SMILESCCCCOCCOCCOCC(=O)OCC
InChIInChI=1S/C12H24O5/c1-3-5-6-14-7-8-15-9-10-16-11-12(13)17-4-2/h3-11H2,1-2H3
InChIKeyPHLJPHMXJFTJQU-UHFFFAOYSA-N
XLogP1.40
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-butoxyacetate
CID 14419651
butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669
butyl 2-(2-propoxyethoxy)acetate
CID 63684669
butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703098
butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703100
ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590
methyl 2-(2-butoxyethoxy)acetate
CID 21093221
ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 22471885
ethyl 2-(3-sulfanylpropoxy)acetate
CID 134600079
ethyl 3-[2-(2-butoxyethoxy)ethoxy]propanoate;ethyl 3-[2-(2-propoxyethoxy)ethoxy]propanoate;methane
CID 161148650
ethyl 16-butoxyhexadecanoate
CID 56991029
ethane;ethyl 2-(13-aminotridecoxy)acetate
CID 144962312

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate (CID 14298877) is ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate is CCCCOCCOCCOCC(=O)OCC.
What is the InChIKey of ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate?
The InChIKey is PHLJPHMXJFTJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5/c1-3-5-6-14-7-8-15-9-10-16-11-12(13)17-4-2/h3-11H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate?
ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate has a molecular weight of 248.32 g/mol, XLogP of 1.40, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-butoxyethoxy)ethoxy]acetate is sourced from PubChem (CID 14298877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).