2,2-diethoxyethanol

C6H14O3 — CID 12129

IUPAC2,2-diethoxyethanol
SMILESCCOC(CO)OCC
InChIInChI=1S/C6H14O3/c1-3-8-6(5-7)9-4-2/h6-7H,3-5H2,1-2H3
InChIKeyIKKUKDZKIIIKJK-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.38
Rot. Bonds5

About 2,2-diethoxyethanol

2,2-diethoxyethanol (PubChem CID 12129) has the molecular formula C6H14O3 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2,2-diethoxyethanol.

Molecular Properties

Compound Name2,2-diethoxyethanol
PubChem CID12129
Molecular FormulaC6H14O3
Molecular Weight134.18 g/mol
Exact Mass134.09
IUPAC Name2,2-diethoxyethanol
SMILESCCOC(CO)OCC
InChIInChI=1S/C6H14O3/c1-3-8-6(5-7)9-4-2/h6-7H,3-5H2,1-2H3
InChIKeyIKKUKDZKIIIKJK-UHFFFAOYSA-N
XLogP0.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-diethoxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Dioxolane-2-methanol
CID 294864
Ethanol, 2-(methoxymethoxy)-
CID 20567
2,2-Dimethoxyethanol
CID 542381
Ethanol, 2,2'-(methylenebis(oxy))bis-
CID 75721
1,4-Dioxan-2-ol
CID 542145
1-Ethoxyethanol
CID 10129898
1,2-Dimethoxydiethyl ether
CID 57167229
1,1-Diethoxy-2-propanol
CID 13601575
2-(2,2-Dimethoxyethoxy)ethan-1-ol
CID 19736275
2-(Propoxymethoxy)ethanol
CID 46912115
1-(2-Hydroxyethoxy)ethane-1,2-diol
CID 57303626
1,2-Bis(2-hydroxyethoxy)ethanol
CID 161805058

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxyethanol?
The IUPAC name of 2,2-diethoxyethanol (CID 12129) is 2,2-diethoxyethanol.
What is the SMILES notation for 2,2-diethoxyethanol?
The canonical SMILES for 2,2-diethoxyethanol is CCOC(CO)OCC.
What is the InChIKey of 2,2-diethoxyethanol?
The InChIKey is IKKUKDZKIIIKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3/c1-3-8-6(5-7)9-4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 2,2-diethoxyethanol?
2,2-diethoxyethanol has a molecular weight of 134.18 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxyethanol is sourced from PubChem (CID 12129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).