1-ethoxy-2-[ethoxy(methoxy)methoxy]ethane

C8H18O4 — CID 173014111

IUPAC1-ethoxy-2-[ethoxy(methoxy)methoxy]ethane
SMILESCCOCCOC(OC)OCC
InChIInChI=1S/C8H18O4/c1-4-10-6-7-12-8(9-3)11-5-2/h8H,4-7H2,1-3H3
InChIKeyQBMLSHFXSLVJSE-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.01
Rot. Bonds8

About 1-ethoxy-2-[ethoxy(methoxy)methoxy]ethane

1-ethoxy-2-[ethoxy(methoxy)methoxy]ethane (PubChem CID 173014111) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-ethoxy-2-[ethoxy(methoxy)methoxy]ethane.

Molecular Properties

Compound Name1-ethoxy-2-[ethoxy(methoxy)methoxy]ethane
PubChem CID173014111
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name1-ethoxy-2-[ethoxy(methoxy)methoxy]ethane
SMILESCCOCCOC(OC)OCC
InChIInChI=1S/C8H18O4/c1-4-10-6-7-12-8(9-3)11-5-2/h8H,4-7H2,1-3H3
InChIKeyQBMLSHFXSLVJSE-UHFFFAOYSA-N
XLogP1.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy(methoxy)methoxy]ethane
CID 20564684
2-[ethoxy(methoxy)methoxy]-N,N-dimethylethanamine
CID 123705763
[[ethoxy(methoxy)methoxy]-methoxymethoxy]ethane
CID 22011246
2-ethoxy-3-(2-ethoxyethoxy)butane
CID 129061401
1,2-diethoxyethane;hydrofluoride
CID 175535770
2-ethoxyethyl 2-ethoxybutanoate
CID 88671888
1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 141265881
1,2-diethoxyethane;ethene
CID 158825770
sodium;1,2-diethoxyethane;hydride
CID 174903036
3-[2-(2-ethoxyethoxy)ethoxy]-1-methoxybutane
CID 129235286
bis(1-ethoxy-2-methoxyethane);hydrate
CID 88797439
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[ethoxy(methoxy)methoxy]ethane?
The IUPAC name of 1-ethoxy-2-[ethoxy(methoxy)methoxy]ethane (CID 173014111) is 1-ethoxy-2-[ethoxy(methoxy)methoxy]ethane.
What is the SMILES notation for 1-ethoxy-2-[ethoxy(methoxy)methoxy]ethane?
The canonical SMILES for 1-ethoxy-2-[ethoxy(methoxy)methoxy]ethane is CCOCCOC(OC)OCC.
What is the InChIKey of 1-ethoxy-2-[ethoxy(methoxy)methoxy]ethane?
The InChIKey is QBMLSHFXSLVJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-4-10-6-7-12-8(9-3)11-5-2/h8H,4-7H2,1-3H3.
What are the key properties of 1-ethoxy-2-[ethoxy(methoxy)methoxy]ethane?
1-ethoxy-2-[ethoxy(methoxy)methoxy]ethane has a molecular weight of 178.23 g/mol, XLogP of 1.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[ethoxy(methoxy)methoxy]ethane is sourced from PubChem (CID 173014111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).