1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-ethoxyethane

C12H24O5 — CID 4162589

IUPAC1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-ethoxyethane
SMILESC=COCCOCCOCCOCCOCC
InChIInChI=1S/C12H24O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3H,1,4-12H2,2H3
InChIKeyNOXDFJPKXNNWPR-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.23
Rot. Bonds14

About 1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-ethoxyethane

1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-ethoxyethane (PubChem CID 4162589) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-ethoxyethane.

Molecular Properties

Compound Name1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-ethoxyethane
PubChem CID4162589
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Name1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-ethoxyethane
SMILESC=COCCOCCOCCOCCOCC
InChIInChI=1S/C12H24O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3H,1,4-12H2,2H3
InChIKeyNOXDFJPKXNNWPR-UHFFFAOYSA-N
XLogP1.23
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-ethoxyethane?
The IUPAC name of 1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-ethoxyethane (CID 4162589) is 1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-ethoxyethane.
What is the SMILES notation for 1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-ethoxyethane?
The canonical SMILES for 1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-ethoxyethane is C=COCCOCCOCCOCCOCC.
What is the InChIKey of 1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-ethoxyethane?
The InChIKey is NOXDFJPKXNNWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3H,1,4-12H2,2H3.
What are the key properties of 1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-ethoxyethane?
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-ethoxyethane has a molecular weight of 248.32 g/mol, XLogP of 1.23, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]-2-ethoxyethane is sourced from PubChem (CID 4162589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).