1-ethoxy-1,2-dimethoxyethane

C6H14O3 — CID 57167229

IUPAC1-ethoxy-1,2-dimethoxyethane
SMILESCCOC(COC)OC
InChIInChI=1S/C6H14O3/c1-4-9-6(8-3)5-7-2/h6H,4-5H2,1-3H3
InChIKeyJMSHLCKVCSMPDO-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.64
Rot. Bonds5

About 1-ethoxy-1,2-dimethoxyethane

1-ethoxy-1,2-dimethoxyethane (PubChem CID 57167229) has the molecular formula C6H14O3 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-ethoxy-1,2-dimethoxyethane.

Molecular Properties

Compound Name1-ethoxy-1,2-dimethoxyethane
PubChem CID57167229
Molecular FormulaC6H14O3
Molecular Weight134.18 g/mol
Exact Mass134.09
IUPAC Name1-ethoxy-1,2-dimethoxyethane
SMILESCCOC(COC)OC
InChIInChI=1S/C6H14O3/c1-4-9-6(8-3)5-7-2/h6H,4-5H2,1-3H3
InChIKeyJMSHLCKVCSMPDO-UHFFFAOYSA-N
XLogP0.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,2-dimethoxyethane?
The IUPAC name of 1-ethoxy-1,2-dimethoxyethane (CID 57167229) is 1-ethoxy-1,2-dimethoxyethane.
What is the SMILES notation for 1-ethoxy-1,2-dimethoxyethane?
The canonical SMILES for 1-ethoxy-1,2-dimethoxyethane is CCOC(COC)OC.
What is the InChIKey of 1-ethoxy-1,2-dimethoxyethane?
The InChIKey is JMSHLCKVCSMPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3/c1-4-9-6(8-3)5-7-2/h6H,4-5H2,1-3H3.
What are the key properties of 1-ethoxy-1,2-dimethoxyethane?
1-ethoxy-1,2-dimethoxyethane has a molecular weight of 134.18 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,2-dimethoxyethane is sourced from PubChem (CID 57167229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).