2-(2,2-dimethoxyethoxy)ethanol

C6H14O4 — CID 19736275

IUPAC2-(2,2-dimethoxyethoxy)ethanol
SMILESCOC(COCCO)OC
InChIInChI=1S/C6H14O4/c1-8-6(9-2)5-10-4-3-7/h6-7H,3-5H2,1-2H3
InChIKeyKTGLOAHYGZRPJI-UHFFFAOYSA-N
MW150.17 g/mol
LogP-0.39
Rot. Bonds6

About 2-(2,2-dimethoxyethoxy)ethanol

2-(2,2-dimethoxyethoxy)ethanol (PubChem CID 19736275) has the molecular formula C6H14O4 and a molecular weight of 150.17 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethoxy)ethanol.

Molecular Properties

Compound Name2-(2,2-dimethoxyethoxy)ethanol
PubChem CID19736275
Molecular FormulaC6H14O4
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name2-(2,2-dimethoxyethoxy)ethanol
SMILESCOC(COCCO)OC
InChIInChI=1S/C6H14O4/c1-8-6(9-2)5-10-4-3-7/h6-7H,3-5H2,1-2H3
InChIKeyKTGLOAHYGZRPJI-UHFFFAOYSA-N
XLogP-0.39
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethoxy)ethanol?
The IUPAC name of 2-(2,2-dimethoxyethoxy)ethanol (CID 19736275) is 2-(2,2-dimethoxyethoxy)ethanol.
What is the SMILES notation for 2-(2,2-dimethoxyethoxy)ethanol?
The canonical SMILES for 2-(2,2-dimethoxyethoxy)ethanol is COC(COCCO)OC.
What is the InChIKey of 2-(2,2-dimethoxyethoxy)ethanol?
The InChIKey is KTGLOAHYGZRPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4/c1-8-6(9-2)5-10-4-3-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(2,2-dimethoxyethoxy)ethanol?
2-(2,2-dimethoxyethoxy)ethanol has a molecular weight of 150.17 g/mol, XLogP of -0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethoxy)ethanol is sourced from PubChem (CID 19736275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).