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

C11H11O3W5Y4-3 — CID 59925084

IUPAC2-(hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)
SMILESCc1[c-]c2c([c-]c1O)CC[C-](CO)O2.[W].[W].[W].[W].[W].[Y].[Y].[Y].[Y]
InChIInChI=1S/C11H11O3.5W.4Y/c1-7-4-11-8(5-10(7)13)2-3-9(6-12)14-11;;;;;;;;;/h12-13H,2-3,6H2,1H3;;;;;;;;;/q-3;;;;;;;;;
InChIKeyMVWZWBXIJBMQMG-UHFFFAOYSA-N
MW1466.03 g/mol
LogP1.13
Rot. Bonds1

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

2-(hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium) (PubChem CID 59925084) has the molecular formula C11H11O3W5Y4-3 and a molecular weight of 1466.03 g/mol. Its IUPAC name is 2-(hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium).

Molecular Properties

Compound Name2-(hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)
PubChem CID59925084
Molecular FormulaC11H11O3W5Y4-3
Molecular Weight1466.03 g/mol
Exact Mass1466.45
IUPAC Name2-(hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)
SMILESCc1[c-]c2c([c-]c1O)CC[C-](CO)O2.[W].[W].[W].[W].[W].[Y].[Y].[Y].[Y]
InChIInChI=1S/C11H11O3.5W.4Y/c1-7-4-11-8(5-10(7)13)2-3-9(6-12)14-11;;;;;;;;;/h12-13H,2-3,6H2,1H3;;;;;;;;;/q-3;;;;;;;;;
InChIKeyMVWZWBXIJBMQMG-UHFFFAOYSA-N
XLogP1.13
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001466.03
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,6-Tetrahydrochromen-6-id-2-ylmethanol;yttrium
CID 59118209
2-Ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)
CID 59925086
(6-Hydroxy-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-2-yl)methyl acetate;tungsten;tetrakis(yttrium)
CID 59925096
2-Ethyl-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;2-(hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;octakis(yttrium)
CID 157965377
2,3,4,6-Tetrahydrochromen-6-id-2-ylmethanol;yttrium(3+)
CID 20627855

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)?
The IUPAC name of 2-(hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium) (CID 59925084) is 2-(hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium).
What is the SMILES notation for 2-(hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)?
The canonical SMILES for 2-(hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium) is Cc1[c-]c2c([c-]c1O)CC[C-](CO)O2.[W].[W].[W].[W].[W].[Y].[Y].[Y].[Y].
What is the InChIKey of 2-(hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)?
The InChIKey is MVWZWBXIJBMQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11O3.5W.4Y/c1-7-4-11-8(5-10(7)13)2-3-9(6-12)14-11;;;;;;;;;/h12-13H,2-3,6H2,1H3;;;;;;;;;/q-3;;;;;;;;;.
What are the key properties of 2-(hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium)?
2-(hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium) has a molecular weight of 1466.03 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-7-methyl-3,4,5,8-tetrahydrochromene-2,5,8-triid-6-ol;tungsten;tetrakis(yttrium) is sourced from PubChem (CID 59925084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).