2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane

C19H42O9 — CID 161348551

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
SMILESCCCOCCOCCOCCOC.COCCOCCOCCOCCO
InChIInChI=1S/C10H22O4.C9H20O5/c1-3-4-12-7-8-14-10-9-13-6-5-11-2;1-11-4-5-13-8-9-14-7-6-12-3-2-10/h3-10H2,1-2H3;10H,2-9H2,1H3
InChIKeyVNPZGFVZZLVCSN-UHFFFAOYSA-N
MW414.54 g/mol
LogP0.77
Rot. Bonds22

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane (PubChem CID 161348551) has the molecular formula C19H42O9 and a molecular weight of 414.54 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
PubChem CID161348551
Molecular FormulaC19H42O9
Molecular Weight414.54 g/mol
Exact Mass414.28
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
SMILESCCCOCCOCCOCCOC.COCCOCCOCCOCCO
InChIInChI=1S/C10H22O4.C9H20O5/c1-3-4-12-7-8-14-10-9-13-6-5-11-2;1-11-4-5-13-8-9-14-7-6-12-3-2-10/h3-10H2,1-2H3;10H,2-9H2,1H3
InChIKeyVNPZGFVZZLVCSN-UHFFFAOYSA-N
XLogP0.77
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol
CID 162022873
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
2-(2-hydroxyethoxy)ethanol;methoxyethane;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 175424944
2-(2-hydroxyethoxy)ethanol;methoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174794611
2-methoxyethanol;2-(2-methoxyethoxy)ethanol
CID 87975598
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;hydroiodide
CID 88616948
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
ethoxyethane;2-(2-hydroxyethoxy)ethanol;2-(2-methoxyethoxy)ethanol
CID 138488183
methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane
CID 157087809
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87464396
calcium;hydride;2-propoxyethanol
CID 174734380

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane (CID 161348551) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane is CCCOCCOCCOCCOC.COCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane?
The InChIKey is VNPZGFVZZLVCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4.C9H20O5/c1-3-4-12-7-8-14-10-9-13-6-5-11-2;1-11-4-5-13-8-9-14-7-6-12-3-2-10/h3-10H2,1-2H3;10H,2-9H2,1H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane has a molecular weight of 414.54 g/mol, XLogP of 0.77, 22 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane is sourced from PubChem (CID 161348551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).