2,2-dimethoxyethanol

C4H10O3 — CID 542381

IUPAC2,2-dimethoxyethanol
SMILESCOC(CO)OC
InChIInChI=1S/C4H10O3/c1-6-4(3-5)7-2/h4-5H,3H2,1-2H3
InChIKeyNYPNCQTUZYWFGG-UHFFFAOYSA-N
MW106.12 g/mol
LogP-0.40
Rot. Bonds3

About 2,2-dimethoxyethanol

2,2-dimethoxyethanol (PubChem CID 542381) has the molecular formula C4H10O3 and a molecular weight of 106.12 g/mol. Its IUPAC name is 2,2-dimethoxyethanol.

Molecular Properties

Compound Name2,2-dimethoxyethanol
PubChem CID542381
Molecular FormulaC4H10O3
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Name2,2-dimethoxyethanol
SMILESCOC(CO)OC
InChIInChI=1S/C4H10O3/c1-6-4(3-5)7-2/h4-5H,3H2,1-2H3
InChIKeyNYPNCQTUZYWFGG-UHFFFAOYSA-N
XLogP-0.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-Diethoxyethanol
CID 12129
Ethanol, 2-(methoxymethoxy)-
CID 20567
1,1-Dimethoxypropan-2-ol
CID 554378
(2R)-1,1-Dimethoxy-2-propanol
CID 11040685
Ethanol, 2,2'-(methylenebis(oxy))bis-
CID 75721
(2S)-1,1-Dimethoxy-2-propanol
CID 10975473
2,2,2-Trimethoxyethanol
CID 21183450
2-(2,2-Dimethoxyethoxy)ethan-1-ol
CID 19736275
2-(Propoxymethoxy)ethanol
CID 46912115
2,2-Dimethoxyethane-1,1-diol
CID 14146820
Methoxyethoxyethanol
CID 14367673
Ethoxyethoxyethanol
CID 14367674

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethanol?
The IUPAC name of 2,2-dimethoxyethanol (CID 542381) is 2,2-dimethoxyethanol.
What is the SMILES notation for 2,2-dimethoxyethanol?
The canonical SMILES for 2,2-dimethoxyethanol is COC(CO)OC.
What is the InChIKey of 2,2-dimethoxyethanol?
The InChIKey is NYPNCQTUZYWFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3/c1-6-4(3-5)7-2/h4-5H,3H2,1-2H3.
What are the key properties of 2,2-dimethoxyethanol?
2,2-dimethoxyethanol has a molecular weight of 106.12 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethanol is sourced from PubChem (CID 542381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).