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

C13H26O6 — CID 21290489

IUPAC1-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane
SMILESC=COCCOCCOCCOCCOCCOC
InChIInChI=1S/C13H26O6/c1-3-15-6-7-17-10-11-19-13-12-18-9-8-16-5-4-14-2/h3H,1,4-13H2,2H3
InChIKeyPCUYFRYBMOKZQQ-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.86
Rot. Bonds16

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

1-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane (PubChem CID 21290489) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane.

Molecular Properties

Compound Name1-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane
PubChem CID21290489
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name1-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane
SMILESC=COCCOCCOCCOCCOCCOC
InChIInChI=1S/C13H26O6/c1-3-15-6-7-17-10-11-19-13-12-18-9-8-16-5-4-14-2/h3H,1,4-13H2,2H3
InChIKeyPCUYFRYBMOKZQQ-UHFFFAOYSA-N
XLogP0.86
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane?
The IUPAC name of 1-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane (CID 21290489) is 1-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane.
What is the SMILES notation for 1-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane?
The canonical SMILES for 1-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane is C=COCCOCCOCCOCCOCCOC.
What is the InChIKey of 1-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane?
The InChIKey is PCUYFRYBMOKZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6/c1-3-15-6-7-17-10-11-19-13-12-18-9-8-16-5-4-14-2/h3H,1,4-13H2,2H3.
What are the key properties of 1-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane?
1-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane has a molecular weight of 278.34 g/mol, XLogP of 0.86, 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-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methoxyethane is sourced from PubChem (CID 21290489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).