ethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium

C53H115O20Y- — CID 158560993

IUPACethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium
SMILESCC.CCCCOCCOCCOCCOCCOCCOCCC.CCCCOCCOCCOCCOCCOCCOCCOC.CCO.[CH2-]COCCOCCOCCOCCOCCOCCC.[Y]
InChIInChI=1S/C17H36O7.C17H36O6.C15H31O6.C2H6O.C2H6.Y/c1-3-4-5-19-8-9-21-12-13-23-16-17-24-15-14-22-11-10-20-7-6-18-2;1-3-5-7-19-9-11-21-13-15-23-17-16-22-14-12-20-10-8-18-6-4-2;1-3-5-17-8-9-19-12-13-21-15-14-20-11-10-18-7-6-16-4-2;1-2-3;1-2;/h3-17H2,1-2H3;3-17H2,1-2H3;2-15H2,1H3;3H,2H2,1H3;1-2H3;/q;;-1;;;
InChIKeyUZBMCDJFFYIXAI-UHFFFAOYSA-N
MW1161.39 g/mol
LogP6.18
Rot. Bonds59

About ethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium

ethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium (PubChem CID 158560993) has the molecular formula C53H115O20Y- and a molecular weight of 1161.39 g/mol. Its IUPAC name is ethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium.

Molecular Properties

Compound Nameethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium
PubChem CID158560993
Molecular FormulaC53H115O20Y-
Molecular Weight1161.39 g/mol
Exact Mass1160.70
IUPAC Nameethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium
SMILESCC.CCCCOCCOCCOCCOCCOCCOCCC.CCCCOCCOCCOCCOCCOCCOCCOC.CCO.[CH2-]COCCOCCOCCOCCOCCOCCC.[Y]
InChIInChI=1S/C17H36O7.C17H36O6.C15H31O6.C2H6O.C2H6.Y/c1-3-4-5-19-8-9-21-12-13-23-16-17-24-15-14-22-11-10-20-7-6-18-2;1-3-5-7-19-9-11-21-13-15-23-17-16-22-14-12-20-10-8-18-6-4-2;1-3-5-17-8-9-19-12-13-21-15-14-20-11-10-18-7-6-16-4-2;1-2-3;1-2;/h3-17H2,1-2H3;3-17H2,1-2H3;2-15H2,1H3;3H,2H2,1H3;1-2H3;/q;;-1;;;
InChIKeyUZBMCDJFFYIXAI-UHFFFAOYSA-N
XLogP6.18
TPSA195.60 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds59
Heavy Atoms74
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001161.39
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze ethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium?
The IUPAC name of ethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium (CID 158560993) is ethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium.
What is the SMILES notation for ethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium?
The canonical SMILES for ethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium is CC.CCCCOCCOCCOCCOCCOCCOCCC.CCCCOCCOCCOCCOCCOCCOCCOC.CCO.[CH2-]COCCOCCOCCOCCOCCOCCC.[Y].
What is the InChIKey of ethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium?
The InChIKey is UZBMCDJFFYIXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O7.C17H36O6.C15H31O6.C2H6O.C2H6.Y/c1-3-4-5-19-8-9-21-12-13-23-16-17-24-15-14-22-11-10-20-7-6-18-2;1-3-5-7-19-9-11-21-13-15-23-17-16-22-14-12-20-10-8-18-6-4-2;1-3-5-17-8-9-19-12-13-21-15-14-20-11-10-18-7-6-16-4-2;1-2-3;1-2;/h3-17H2,1-2H3;3-17H2,1-2H3;2-15H2,1H3;3H,2H2,1H3;1-2H3;/q;;-1;;;.
What are the key properties of ethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium?
ethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium has a molecular weight of 1161.39 g/mol, XLogP of 6.18, 59 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium is sourced from PubChem (CID 158560993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).