2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane

C24H52O11 — CID 90747134

IUPAC2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane
SMILESCOCCOC(C)C.OCCOCCOCCOCCCCOCCOCCOCCOCCO
InChIInChI=1S/C18H38O9.C6H14O2/c19-3-7-23-11-15-25-13-9-21-5-1-2-6-22-10-14-26-17-18-27-16-12-24-8-4-20;1-6(2)8-5-4-7-3/h19-20H,1-18H2;6H,4-5H2,1-3H3
InChIKeySYAMUTHYNHWTHX-UHFFFAOYSA-N
MW516.67 g/mol
LogP0.93
Rot. Bonds28

About 2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane

2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane (PubChem CID 90747134) has the molecular formula C24H52O11 and a molecular weight of 516.67 g/mol. Its IUPAC name is 2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane.

Molecular Properties

Compound Name2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane
PubChem CID90747134
Molecular FormulaC24H52O11
Molecular Weight516.67 g/mol
Exact Mass516.35
IUPAC Name2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane
SMILESCOCCOC(C)C.OCCOCCOCCOCCCCOCCOCCOCCOCCO
InChIInChI=1S/C18H38O9.C6H14O2/c19-3-7-23-11-15-25-13-9-21-5-1-2-6-22-10-14-26-17-18-27-16-12-24-8-4-20;1-6(2)8-5-4-7-3/h19-20H,1-18H2;6H,4-5H2,1-3H3
InChIKeySYAMUTHYNHWTHX-UHFFFAOYSA-N
XLogP0.93
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.67
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 167653793
4-(4-propan-2-yloxybutoxy)butan-1-ol
CID 19930592
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;hydroiodide
CID 88616948
2-methoxyethanol;2-(2-methoxyethoxy)ethanol
CID 87975598
8-[2-(2-methoxyethoxy)ethoxy]octan-1-ol
CID 23043534
6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-1-ol
CID 71402387
3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 91809447
2-[3-(propan-2-yloxymethoxy)propoxy]ethanol
CID 57303789
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87464396

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane?
The IUPAC name of 2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane (CID 90747134) is 2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane.
What is the SMILES notation for 2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane?
The canonical SMILES for 2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane is COCCOC(C)C.OCCOCCOCCOCCCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane?
The InChIKey is SYAMUTHYNHWTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O9.C6H14O2/c19-3-7-23-11-15-25-13-9-21-5-1-2-6-22-10-14-26-17-18-27-16-12-24-8-4-20;1-6(2)8-5-4-7-3/h19-20H,1-18H2;6H,4-5H2,1-3H3.
What are the key properties of 2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane?
2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane has a molecular weight of 516.67 g/mol, XLogP of 0.93, 28 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethanol;2-(2-methoxyethoxy)propane is sourced from PubChem (CID 90747134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).