2-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium

C10H11OY- — CID 59669840

IUPAC2-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium
SMILESCC1CCc2ccc[c-]c2O1.[Y]
InChIInChI=1S/C10H11O.Y/c1-8-6-7-9-4-2-3-5-10(9)11-8;/h2-4,8H,6-7H2,1H3;/q-1;
InChIKeyOHPGJQMKCMYBCT-UHFFFAOYSA-N
MW236.10 g/mol
LogP2.20
Rot. Bonds

About 2-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium

2-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium (PubChem CID 59669840) has the molecular formula C10H11OY- and a molecular weight of 236.10 g/mol. Its IUPAC name is 2-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium.

Molecular Properties

Compound Name2-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium
PubChem CID59669840
Molecular FormulaC10H11OY-
Molecular Weight236.10 g/mol
Exact Mass235.99
IUPAC Name2-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium
SMILESCC1CCc2ccc[c-]c2O1.[Y]
InChIInChI=1S/C10H11O.Y/c1-8-6-7-9-4-2-3-5-10(9)11-8;/h2-4,8H,6-7H2,1H3;/q-1;
InChIKeyOHPGJQMKCMYBCT-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium?
The IUPAC name of 2-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium (CID 59669840) is 2-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium.
What is the SMILES notation for 2-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium?
The canonical SMILES for 2-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium is CC1CCc2ccc[c-]c2O1.[Y].
What is the InChIKey of 2-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium?
The InChIKey is OHPGJQMKCMYBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O.Y/c1-8-6-7-9-4-2-3-5-10(9)11-8;/h2-4,8H,6-7H2,1H3;/q-1;.
What are the key properties of 2-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium?
2-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium has a molecular weight of 236.10 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,4,8-tetrahydrochromen-8-ide;yttrium is sourced from PubChem (CID 59669840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).