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

C9H18O4 — CID 3273081

IUPAC1-[2-(2-ethenoxyethoxy)ethoxy]-2-methoxyethane
SMILESC=COCCOCCOCCOC
InChIInChI=1S/C9H18O4/c1-3-11-6-7-13-9-8-12-5-4-10-2/h3H,1,4-9H2,2H3
InChIKeyRJTJPFYIGZWFMK-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.83
Rot. Bonds10

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

1-[2-(2-ethenoxyethoxy)ethoxy]-2-methoxyethane (PubChem CID 3273081) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-[2-(2-ethenoxyethoxy)ethoxy]-2-methoxyethane.

Molecular Properties

Compound Name1-[2-(2-ethenoxyethoxy)ethoxy]-2-methoxyethane
PubChem CID3273081
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name1-[2-(2-ethenoxyethoxy)ethoxy]-2-methoxyethane
SMILESC=COCCOCCOCCOC
InChIInChI=1S/C9H18O4/c1-3-11-6-7-13-9-8-12-5-4-10-2/h3H,1,4-9H2,2H3
InChIKeyRJTJPFYIGZWFMK-UHFFFAOYSA-N
XLogP0.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethenoxyethoxy)ethoxy]-2-methoxyethane?
The IUPAC name of 1-[2-(2-ethenoxyethoxy)ethoxy]-2-methoxyethane (CID 3273081) is 1-[2-(2-ethenoxyethoxy)ethoxy]-2-methoxyethane.
What is the SMILES notation for 1-[2-(2-ethenoxyethoxy)ethoxy]-2-methoxyethane?
The canonical SMILES for 1-[2-(2-ethenoxyethoxy)ethoxy]-2-methoxyethane is C=COCCOCCOCCOC.
What is the InChIKey of 1-[2-(2-ethenoxyethoxy)ethoxy]-2-methoxyethane?
The InChIKey is RJTJPFYIGZWFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-11-6-7-13-9-8-12-5-4-10-2/h3H,1,4-9H2,2H3.
What are the key properties of 1-[2-(2-ethenoxyethoxy)ethoxy]-2-methoxyethane?
1-[2-(2-ethenoxyethoxy)ethoxy]-2-methoxyethane has a molecular weight of 190.24 g/mol, XLogP of 0.83, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethenoxyethoxy)ethoxy]-2-methoxyethane is sourced from PubChem (CID 3273081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).