2-(2-ethenoxyethoxy)-1,1-dimethoxyethane

C8H16O4 — CID 102452701

IUPAC2-(2-ethenoxyethoxy)-1,1-dimethoxyethane
SMILESC=COCCOCC(OC)OC
InChIInChI=1S/C8H16O4/c1-4-11-5-6-12-7-8(9-2)10-3/h4,8H,1,5-7H2,2-3H3
InChIKeyAJBCFEFQJCAPKL-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.78
Rot. Bonds8

About 2-(2-ethenoxyethoxy)-1,1-dimethoxyethane

2-(2-ethenoxyethoxy)-1,1-dimethoxyethane (PubChem CID 102452701) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-(2-ethenoxyethoxy)-1,1-dimethoxyethane.

Molecular Properties

Compound Name2-(2-ethenoxyethoxy)-1,1-dimethoxyethane
PubChem CID102452701
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-(2-ethenoxyethoxy)-1,1-dimethoxyethane
SMILESC=COCCOCC(OC)OC
InChIInChI=1S/C8H16O4/c1-4-11-5-6-12-7-8(9-2)10-3/h4,8H,1,5-7H2,2-3H3
InChIKeyAJBCFEFQJCAPKL-UHFFFAOYSA-N
XLogP0.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.78
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenoxyethoxy)-1,1-dimethoxyethane?
The IUPAC name of 2-(2-ethenoxyethoxy)-1,1-dimethoxyethane (CID 102452701) is 2-(2-ethenoxyethoxy)-1,1-dimethoxyethane.
What is the SMILES notation for 2-(2-ethenoxyethoxy)-1,1-dimethoxyethane?
The canonical SMILES for 2-(2-ethenoxyethoxy)-1,1-dimethoxyethane is C=COCCOCC(OC)OC.
What is the InChIKey of 2-(2-ethenoxyethoxy)-1,1-dimethoxyethane?
The InChIKey is AJBCFEFQJCAPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-4-11-5-6-12-7-8(9-2)10-3/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 2-(2-ethenoxyethoxy)-1,1-dimethoxyethane?
2-(2-ethenoxyethoxy)-1,1-dimethoxyethane has a molecular weight of 176.21 g/mol, XLogP of 0.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenoxyethoxy)-1,1-dimethoxyethane is sourced from PubChem (CID 102452701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).