2-ethoxyethanolate

C4H9O2- — CID 22392618

IUPAC2-ethoxyethanolate
SMILESCCOCC[O-]
InChIInChI=1S/C4H9O2/c1-2-6-4-3-5/h2-4H2,1H3/q-1
InChIKeyDTJKTDBKXWPKBI-UHFFFAOYSA-N
MW89.11 g/mol
LogP-0.62
Rot. Bonds3

About 2-ethoxyethanolate

2-ethoxyethanolate (PubChem CID 22392618) has the molecular formula C4H9O2- and a molecular weight of 89.11 g/mol. Its IUPAC name is 2-ethoxyethanolate.

Molecular Properties

Compound Name2-ethoxyethanolate
PubChem CID22392618
Molecular FormulaC4H9O2-
Molecular Weight89.11 g/mol
Exact Mass89.06
IUPAC Name2-ethoxyethanolate
SMILESCCOCC[O-]
InChIInChI=1S/C4H9O2/c1-2-6-4-3-5/h2-4H2,1H3/q-1
InChIKeyDTJKTDBKXWPKBI-UHFFFAOYSA-N
XLogP-0.62
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.11
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
1-Ethoxy-2-methoxyethane
CID 123223
2,5,8,11,14,17-Hexaoxaoctadecane
CID 70931

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanolate?
The IUPAC name of 2-ethoxyethanolate (CID 22392618) is 2-ethoxyethanolate.
What is the SMILES notation for 2-ethoxyethanolate?
The canonical SMILES for 2-ethoxyethanolate is CCOCC[O-].
What is the InChIKey of 2-ethoxyethanolate?
The InChIKey is DTJKTDBKXWPKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O2/c1-2-6-4-3-5/h2-4H2,1H3/q-1.
What are the key properties of 2-ethoxyethanolate?
2-ethoxyethanolate has a molecular weight of 89.11 g/mol, XLogP of -0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanolate is sourced from PubChem (CID 22392618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).