1-ethoxy-2-methoxyethane

C5H11O2- — CID 138455179

IUPAC1-ethoxy-2-methoxyethane
SMILES[CH2-]COCCOC
InChIInChI=1S/C5H11O2/c1-3-7-5-4-6-2/h1,3-5H2,2H3/q-1
InChIKeyGDPHWCMBVPBOKI-UHFFFAOYSA-N
MW103.14 g/mol
LogP0.48
Rot. Bonds4

About 1-ethoxy-2-methoxyethane

1-ethoxy-2-methoxyethane (PubChem CID 138455179) has the molecular formula C5H11O2- and a molecular weight of 103.14 g/mol. Its IUPAC name is 1-ethoxy-2-methoxyethane.

Molecular Properties

Compound Name1-ethoxy-2-methoxyethane
PubChem CID138455179
Molecular FormulaC5H11O2-
Molecular Weight103.14 g/mol
Exact Mass103.08
IUPAC Name1-ethoxy-2-methoxyethane
SMILES[CH2-]COCCOC
InChIInChI=1S/C5H11O2/c1-3-7-5-4-6-2/h1,3-5H2,2H3/q-1
InChIKeyGDPHWCMBVPBOKI-UHFFFAOYSA-N
XLogP0.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,4-Dioxane
CID 31275
Diglyme
CID 8150
Ethylene glycol diethyl ether
CID 12375
1,2-Dimethoxyethane
CID 8071
Tetraglyme
CID 8925
Diethylene glycol diethyl ether
CID 8179
Triglyme
CID 8189
3,6,9,12,15-Pentaoxaheptadecane
CID 78057
3,6,9,12,15,18-Hexaoxaeicosane
CID 90206
1-Ethoxy-2-(2-methoxyethoxy)ethane
CID 13847
2,5,8,11,14,17-Hexaoxaoctadecane
CID 70931
1-Ethoxy-2-methoxyethane
CID 123223

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methoxyethane?
The IUPAC name of 1-ethoxy-2-methoxyethane (CID 138455179) is 1-ethoxy-2-methoxyethane.
What is the SMILES notation for 1-ethoxy-2-methoxyethane?
The canonical SMILES for 1-ethoxy-2-methoxyethane is [CH2-]COCCOC.
What is the InChIKey of 1-ethoxy-2-methoxyethane?
The InChIKey is GDPHWCMBVPBOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2/c1-3-7-5-4-6-2/h1,3-5H2,2H3/q-1.
What are the key properties of 1-ethoxy-2-methoxyethane?
1-ethoxy-2-methoxyethane has a molecular weight of 103.14 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methoxyethane is sourced from PubChem (CID 138455179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).