3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane

C46H86O16 — CID 58350245

IUPAC3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane
SMILESCCC1(COCCCCOCCOCC2(COCCCCOCCOCC3(COCCCCOCCOCC4(COCCCCOCCOC)COC4)COC3)COC2)COC1
InChIInChI=1S/C46H86O16/c1-3-43(29-59-30-43)28-52-16-8-5-13-49-22-25-56-35-45(39-61-40-45)32-54-18-10-7-15-51-24-27-58-36-46(41-62-42-46)33-55-19-11-6-14-50-23-26-57-34-44(37-60-38-44)31-53-17-9-4-12-48-21-20-47-2/h3-42H2,1-2H3
InChIKeyYBLHFXVREFWKSX-UHFFFAOYSA-N
MW895.18 g/mol
LogP4.41
Rot. Bonds47

About 3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane

3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane (PubChem CID 58350245) has the molecular formula C46H86O16 and a molecular weight of 895.18 g/mol. Its IUPAC name is 3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane
PubChem CID58350245
Molecular FormulaC46H86O16
Molecular Weight895.18 g/mol
Exact Mass894.59
IUPAC Name3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane
SMILESCCC1(COCCCCOCCOCC2(COCCCCOCCOCC3(COCCCCOCCOCC4(COCCCCOCCOC)COC4)COC3)COC2)COC1
InChIInChI=1S/C46H86O16/c1-3-43(29-59-30-43)28-52-16-8-5-13-49-22-25-56-35-45(39-61-40-45)32-54-18-10-7-15-51-24-27-58-36-46(41-62-42-46)33-55-19-11-6-14-50-23-26-57-34-44(37-60-38-44)31-53-17-9-4-12-48-21-20-47-2/h3-42H2,1-2H3
InChIKeyYBLHFXVREFWKSX-UHFFFAOYSA-N
XLogP4.41
TPSA147.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds47
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.18
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane (CID 58350245) is 3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane is CCC1(COCCCCOCCOCC2(COCCCCOCCOCC3(COCCCCOCCOCC4(COCCCCOCCOC)COC4)COC3)COC2)COC1.
What is the InChIKey of 3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane?
The InChIKey is YBLHFXVREFWKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H86O16/c1-3-43(29-59-30-43)28-52-16-8-5-13-49-22-25-56-35-45(39-61-40-45)32-54-18-10-7-15-51-24-27-58-36-46(41-62-42-46)33-55-19-11-6-14-50-23-26-57-34-44(37-60-38-44)31-53-17-9-4-12-48-21-20-47-2/h3-42H2,1-2H3.
What are the key properties of 3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane?
3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane has a molecular weight of 895.18 g/mol, XLogP of 4.41, 47 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[4-[2-[[3-[4-[2-[[3-[4-[2-[[3-[4-(2-methoxyethoxy)butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetan-3-yl]methoxy]ethoxy]butoxymethyl]oxetane is sourced from PubChem (CID 58350245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).