2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate

C8H20O6 — CID 131726685

IUPAC2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate
SMILESCOC(COCC(OC)OC)OC.O
InChIInChI=1S/C8H18O5.H2O/c1-9-7(10-2)5-13-6-8(11-3)12-4;/h7-8H,5-6H2,1-4H3;1H2
InChIKeyTVNGQOZULHELNT-UHFFFAOYSA-N
MW212.24 g/mol
LogP-0.58
Rot. Bonds8

About 2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate

2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate (PubChem CID 131726685) has the molecular formula C8H20O6 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate.

Molecular Properties

Compound Name2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate
PubChem CID131726685
Molecular FormulaC8H20O6
Molecular Weight212.24 g/mol
Exact Mass212.13
IUPAC Name2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate
SMILESCOC(COCC(OC)OC)OC.O
InChIInChI=1S/C8H18O5.H2O/c1-9-7(10-2)5-13-6-8(11-3)12-4;/h7-8H,5-6H2,1-4H3;1H2
InChIKeyTVNGQOZULHELNT-UHFFFAOYSA-N
XLogP-0.58
TPSA77.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 14433926
1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane
CID 103403802
2-(2-ethenoxyethoxy)-1,1-dimethoxyethane
CID 102452701
CID 172811709
CID 172811709
3-(2,2-dimethoxyethoxy)-N-propan-2-ylpropan-1-amine
CID 115486739
1-tert-butyl-1-(2,2-dimethoxyethoxymethyl)cyclopentane
CID 21363535
2,2-dimethoxyethoxycyclopropane
CID 174976497
2,2-dimethoxyethoxy(diethoxy)silane
CID 158366943
2,2-dimethoxyethyl 2-methylpropanoate
CID 86008683
CID 57259107
CID 57259107
CID 172716670
CID 172716670
2,2-dimethoxyethyl 2-hydroxypropanoate
CID 151767875

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate?
The IUPAC name of 2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate (CID 131726685) is 2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate.
What is the SMILES notation for 2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate?
The canonical SMILES for 2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate is COC(COCC(OC)OC)OC.O.
What is the InChIKey of 2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate?
The InChIKey is TVNGQOZULHELNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5.H2O/c1-9-7(10-2)5-13-6-8(11-3)12-4;/h7-8H,5-6H2,1-4H3;1H2.
What are the key properties of 2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate?
2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate has a molecular weight of 212.24 g/mol, XLogP of -0.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate is sourced from PubChem (CID 131726685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).