1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol

C9H22O6 — CID 162081767

IUPAC1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol
SMILESCOCCOCCOC.OCC(O)CO
InChIInChI=1S/C6H14O3.C3H8O3/c1-7-3-5-9-6-4-8-2;4-1-3(6)2-5/h3-6H2,1-2H3;3-6H,1-2H2
InChIKeyZCKZRIFPZGVTBX-UHFFFAOYSA-N
MW226.27 g/mol
LogP-1.37
Rot. Bonds8

About 1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol

1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol (PubChem CID 162081767) has the molecular formula C9H22O6 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol.

Molecular Properties

Compound Name1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol
PubChem CID162081767
Molecular FormulaC9H22O6
Molecular Weight226.27 g/mol
Exact Mass226.14
IUPAC Name1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol
SMILESCOCCOCCOC.OCC(O)CO
InChIInChI=1S/C6H14O3.C3H8O3/c1-7-3-5-9-6-4-8-2;4-1-3(6)2-5/h3-6H2,1-2H3;3-6H,1-2H2
InChIKeyZCKZRIFPZGVTBX-UHFFFAOYSA-N
XLogP-1.37
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol
CID 79682128
ethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87301416
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
2-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 57080200
1,2-dimethoxyethane;propane-1,2-diol
CID 87359366
1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane-1,2-diol
CID 155319585
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propan-1-ol
CID 78062387

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol?
The IUPAC name of 1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol (CID 162081767) is 1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol.
What is the SMILES notation for 1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol?
The canonical SMILES for 1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol is COCCOCCOC.OCC(O)CO.
What is the InChIKey of 1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol?
The InChIKey is ZCKZRIFPZGVTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C3H8O3/c1-7-3-5-9-6-4-8-2;4-1-3(6)2-5/h3-6H2,1-2H3;3-6H,1-2H2.
What are the key properties of 1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol?
1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol has a molecular weight of 226.27 g/mol, XLogP of -1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methoxyethoxy)ethane;propane-1,2,3-triol is sourced from PubChem (CID 162081767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).