2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)

C12H13O2W5Y4-3 — CID 59925086

IUPAC2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)
SMILESCC[C-]1CCc2[c-]c(O)c(C)[c-]c2O1.[W].[W].[W].[W].[W].[Y].[Y].[Y].[Y]
InChIInChI=1S/C12H13O2.5W.4Y/c1-3-10-5-4-9-7-11(13)8(2)6-12(9)14-10;;;;;;;;;/h13H,3-5H2,1-2H3;;;;;;;;;/q-3;;;;;;;;;
InChIKeyUUCMKDALCGYMRS-UHFFFAOYSA-N
MW1464.06 g/mol
LogP2.55
Rot. Bonds1

About 2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)

2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium) (PubChem CID 59925086) has the molecular formula C12H13O2W5Y4-3 and a molecular weight of 1464.06 g/mol. Its IUPAC name is 2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium).

Molecular Properties

Compound Name2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)
PubChem CID59925086
Molecular FormulaC12H13O2W5Y4-3
Molecular Weight1464.06 g/mol
Exact Mass1464.47
IUPAC Name2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)
SMILESCC[C-]1CCc2[c-]c(O)c(C)[c-]c2O1.[W].[W].[W].[W].[W].[Y].[Y].[Y].[Y]
InChIInChI=1S/C12H13O2.5W.4Y/c1-3-10-5-4-9-7-11(13)8(2)6-12(9)14-10;;;;;;;;;/h13H,3-5H2,1-2H3;;;;;;;;;/q-3;;;;;;;;;
InChIKeyUUCMKDALCGYMRS-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001464.06
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(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 2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)?
The IUPAC name of 2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium) (CID 59925086) is 2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium).
What is the SMILES notation for 2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)?
The canonical SMILES for 2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium) is CC[C-]1CCc2[c-]c(O)c(C)[c-]c2O1.[W].[W].[W].[W].[W].[Y].[Y].[Y].[Y].
What is the InChIKey of 2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)?
The InChIKey is UUCMKDALCGYMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O2.5W.4Y/c1-3-10-5-4-9-7-11(13)8(2)6-12(9)14-10;;;;;;;;;/h13H,3-5H2,1-2H3;;;;;;;;;/q-3;;;;;;;;;.
What are the key properties of 2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)?
2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium) has a molecular weight of 1464.06 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium) is sourced from PubChem (CID 59925086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).