2,2-dimethoxyethane-1,1-diol

C4H10O4 — CID 14146820

IUPAC2,2-dimethoxyethane-1,1-diol
SMILESCOC(OC)C(O)O
InChIInChI=1S/C4H10O4/c1-7-4(8-2)3(5)6/h3-6H,1-2H3
InChIKeyYWUQYMIRVHPYAY-UHFFFAOYSA-N
MW122.12 g/mol
LogP-1.08
Rot. Bonds3

About 2,2-dimethoxyethane-1,1-diol

2,2-dimethoxyethane-1,1-diol (PubChem CID 14146820) has the molecular formula C4H10O4 and a molecular weight of 122.12 g/mol. Its IUPAC name is 2,2-dimethoxyethane-1,1-diol.

Molecular Properties

Compound Name2,2-dimethoxyethane-1,1-diol
PubChem CID14146820
Molecular FormulaC4H10O4
Molecular Weight122.12 g/mol
Exact Mass122.06
IUPAC Name2,2-dimethoxyethane-1,1-diol
SMILESCOC(OC)C(O)O
InChIInChI=1S/C4H10O4/c1-7-4(8-2)3(5)6/h3-6H,1-2H3
InChIKeyYWUQYMIRVHPYAY-UHFFFAOYSA-N
XLogP-1.08
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
1,1,2,2-Tetramethoxyethane
CID 554434
Ethanol, 2-(methoxymethoxy)-
CID 20567
2,2-Dimethoxyethanol
CID 542381
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-(2-Hydroxyethoxy)ethane-1,1-diol
CID 21183357
2-(Propoxymethoxy)ethanol
CID 46912115

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethane-1,1-diol?
The IUPAC name of 2,2-dimethoxyethane-1,1-diol (CID 14146820) is 2,2-dimethoxyethane-1,1-diol.
What is the SMILES notation for 2,2-dimethoxyethane-1,1-diol?
The canonical SMILES for 2,2-dimethoxyethane-1,1-diol is COC(OC)C(O)O.
What is the InChIKey of 2,2-dimethoxyethane-1,1-diol?
The InChIKey is YWUQYMIRVHPYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4/c1-7-4(8-2)3(5)6/h3-6H,1-2H3.
What are the key properties of 2,2-dimethoxyethane-1,1-diol?
2,2-dimethoxyethane-1,1-diol has a molecular weight of 122.12 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethane-1,1-diol is sourced from PubChem (CID 14146820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).