ethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium

C47H98O13WY — CID 160975855

IUPACethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium
SMILESC.C.C.C=C(C)CO.C=C(C)COCCO.C=C(C)COCCO.C=C(C)COCCOCC(=C)C.C=C(C)COCCOCC(=C)C.CC(C)=COCCO.OCCO.[W].[Y]
InChIInChI=1S/2C10H18O2.3C6H12O2.C4H8O.C2H6O2.3CH4.W.Y/c2*1-9(2)7-11-5-6-12-8-10(3)4;3*1-6(2)5-8-4-3-7;1-4(2)3-5;3-1-2-4;;;;;/h2*1,3,5-8H2,2,4H3;5,7H,3-4H2,1-2H3;2*7H,1,3-5H2,2H3;5H,1,3H2,2H3;3-4H,1-2H2;3*1H4;;
InChIKeySYVVXVXHLPZUCG-UHFFFAOYSA-N
MW1144.03 g/mol
LogP7.83
Rot. Bonds27

About ethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium

ethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium (PubChem CID 160975855) has the molecular formula C47H98O13WY and a molecular weight of 1144.03 g/mol. Its IUPAC name is ethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium.

Molecular Properties

Compound Nameethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium
PubChem CID160975855
Molecular FormulaC47H98O13WY
Molecular Weight1144.03 g/mol
Exact Mass1143.56
IUPAC Nameethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium
SMILESC.C.C.C=C(C)CO.C=C(C)COCCO.C=C(C)COCCO.C=C(C)COCCOCC(=C)C.C=C(C)COCCOCC(=C)C.CC(C)=COCCO.OCCO.[W].[Y]
InChIInChI=1S/2C10H18O2.3C6H12O2.C4H8O.C2H6O2.3CH4.W.Y/c2*1-9(2)7-11-5-6-12-8-10(3)4;3*1-6(2)5-8-4-3-7;1-4(2)3-5;3-1-2-4;;;;;/h2*1,3,5-8H2,2,4H3;5,7H,3-4H2,1-2H3;2*7H,1,3-5H2,2H3;5H,1,3H2,2H3;3-4H,1-2H2;3*1H4;;
InChIKeySYVVXVXHLPZUCG-UHFFFAOYSA-N
XLogP7.83
TPSA185.99 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds27
Heavy Atoms62
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001144.03
LogP ≤ 57.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;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-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium?
The IUPAC name of ethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium (CID 160975855) is ethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium.
What is the SMILES notation for ethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium?
The canonical SMILES for ethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium is C.C.C.C=C(C)CO.C=C(C)COCCO.C=C(C)COCCO.C=C(C)COCCOCC(=C)C.C=C(C)COCCOCC(=C)C.CC(C)=COCCO.OCCO.[W].[Y].
What is the InChIKey of ethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium?
The InChIKey is SYVVXVXHLPZUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18O2.3C6H12O2.C4H8O.C2H6O2.3CH4.W.Y/c2*1-9(2)7-11-5-6-12-8-10(3)4;3*1-6(2)5-8-4-3-7;1-4(2)3-5;3-1-2-4;;;;;/h2*1,3,5-8H2,2,4H3;5,7H,3-4H2,1-2H3;2*7H,1,3-5H2,2H3;5H,1,3H2,2H3;3-4H,1-2H2;3*1H4;;.
What are the key properties of ethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium?
ethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium has a molecular weight of 1144.03 g/mol, XLogP of 7.83, 27 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;methane;bis(2-methyl-3-[2-(2-methylprop-2-enoxy)ethoxy]prop-1-ene);2-methylprop-2-en-1-ol;2-(2-methylprop-1-enoxy)ethanol;bis(2-(2-methylprop-2-enoxy)ethanol);tungsten;yttrium is sourced from PubChem (CID 160975855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).