2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol

C9H20O6 — CID 23185217

IUPAC2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol
SMILESCCOC(OCC)C(O)(O)OCCOC
InChIInChI=1S/C9H20O6/c1-4-13-8(14-5-2)9(10,11)15-7-6-12-3/h8,10-11H,4-7H2,1-3H3
InChIKeyODISPXMBSNWHQB-UHFFFAOYSA-N
MW224.25 g/mol
LogP-0.31
Rot. Bonds9

About 2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol

2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol (PubChem CID 23185217) has the molecular formula C9H20O6 and a molecular weight of 224.25 g/mol. Its IUPAC name is 2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol.

Molecular Properties

Compound Name2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol
PubChem CID23185217
Molecular FormulaC9H20O6
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Name2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol
SMILESCCOC(OCC)C(O)(O)OCCOC
InChIInChI=1S/C9H20O6/c1-4-13-8(14-5-2)9(10,11)15-7-6-12-3/h8,10-11H,4-7H2,1-3H3
InChIKeyODISPXMBSNWHQB-UHFFFAOYSA-N
XLogP-0.31
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol?
The IUPAC name of 2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol (CID 23185217) is 2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol.
What is the SMILES notation for 2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol?
The canonical SMILES for 2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol is CCOC(OCC)C(O)(O)OCCOC.
What is the InChIKey of 2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol?
The InChIKey is ODISPXMBSNWHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O6/c1-4-13-8(14-5-2)9(10,11)15-7-6-12-3/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol?
2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol has a molecular weight of 224.25 g/mol, XLogP of -0.31, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol is sourced from PubChem (CID 23185217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).