methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane

C26H58O11 — CID 157087809

IUPACmethane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane
SMILESC.CCCOCCOCCOC.COCCOCCOCCOCC(C)COCCOCCOCCO
InChIInChI=1S/C17H36O8.C8H18O3.CH4/c1-17(15-24-13-11-22-8-7-20-4-3-18)16-25-14-12-23-10-9-21-6-5-19-2;1-3-4-10-7-8-11-6-5-9-2;/h17-18H,3-16H2,1-2H3;3-8H2,1-2H3;1H4
InChIKeyAEHHPVMMDVVKHJ-UHFFFAOYSA-N
MW546.74 g/mol
LogP2.07
Rot. Bonds29

About methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane

methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane (PubChem CID 157087809) has the molecular formula C26H58O11 and a molecular weight of 546.74 g/mol. Its IUPAC name is methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane.

Molecular Properties

Compound Namemethane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane
PubChem CID157087809
Molecular FormulaC26H58O11
Molecular Weight546.74 g/mol
Exact Mass546.40
IUPAC Namemethane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane
SMILESC.CCCOCCOCCOC.COCCOCCOCCOCC(C)COCCOCCOCCO
InChIInChI=1S/C17H36O8.C8H18O3.CH4/c1-17(15-24-13-11-22-8-7-20-4-3-18)16-25-14-12-23-10-9-21-6-5-19-2;1-3-4-10-7-8-11-6-5-9-2;/h17-18H,3-16H2,1-2H3;3-8H2,1-2H3;1H4
InChIKeyAEHHPVMMDVVKHJ-UHFFFAOYSA-N
XLogP2.07
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.74
LogP ≤ 52.07
H-Bond Donors ≤ 51
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-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
CID 161348551
2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol
CID 162022873
2-[3-[3-(2-hydroxyethoxy)-2-methylpropoxy]-2-methylpropoxy]ethanol
CID 18784446
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
2-[2-[2-(2-methylundecoxy)ethoxy]ethoxy]ethanol
CID 59203503
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-methoxypropan-2-ol
CID 88655335
ethoxyethane;2-(2-hydroxyethoxy)ethanol;2-(2-methoxyethoxy)ethanol
CID 138488183

Frequently Asked Questions

What is the IUPAC name of methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane?
The IUPAC name of methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane (CID 157087809) is methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane.
What is the SMILES notation for methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane?
The canonical SMILES for methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane is C.CCCOCCOCCOC.COCCOCCOCCOCC(C)COCCOCCOCCO.
What is the InChIKey of methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane?
The InChIKey is AEHHPVMMDVVKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O8.C8H18O3.CH4/c1-17(15-24-13-11-22-8-7-20-4-3-18)16-25-14-12-23-10-9-21-6-5-19-2;1-3-4-10-7-8-11-6-5-9-2;/h17-18H,3-16H2,1-2H3;3-8H2,1-2H3;1H4.
What are the key properties of methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane?
methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane has a molecular weight of 546.74 g/mol, XLogP of 2.07, 29 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[2-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropoxy]ethoxy]ethoxy]ethanol;1-[2-(2-methoxyethoxy)ethoxy]propane is sourced from PubChem (CID 157087809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).