2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium

C8H15O3Y- — CID 59503941

IUPAC2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium
SMILESCCC1CC(O)[CH-]C(OC)O1.[Y]
InChIInChI=1S/C8H15O3.Y/c1-3-7-4-6(9)5-8(10-2)11-7;/h5-9H,3-4H2,1-2H3;/q-1;
InChIKeyNOTCXBJUECXWLQ-UHFFFAOYSA-N
MW248.11 g/mol
LogP0.72
Rot. Bonds2

About 2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium

2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium (PubChem CID 59503941) has the molecular formula C8H15O3Y- and a molecular weight of 248.11 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium.

Molecular Properties

Compound Name2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium
PubChem CID59503941
Molecular FormulaC8H15O3Y-
Molecular Weight248.11 g/mol
Exact Mass248.01
IUPAC Name2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium
SMILESCCC1CC(O)[CH-]C(OC)O1.[Y]
InChIInChI=1S/C8H15O3.Y/c1-3-7-4-6(9)5-8(10-2)11-7;/h5-9H,3-4H2,1-2H3;/q-1;
InChIKeyNOTCXBJUECXWLQ-UHFFFAOYSA-N
XLogP0.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium?
The IUPAC name of 2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium (CID 59503941) is 2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium.
What is the SMILES notation for 2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium?
The canonical SMILES for 2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium is CCC1CC(O)[CH-]C(OC)O1.[Y].
What is the InChIKey of 2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium?
The InChIKey is NOTCXBJUECXWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O3.Y/c1-3-7-4-6(9)5-8(10-2)11-7;/h5-9H,3-4H2,1-2H3;/q-1;.
What are the key properties of 2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium?
2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium has a molecular weight of 248.11 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-3,4,5,6-tetrahydro-2H-pyran-5-id-4-ol;yttrium is sourced from PubChem (CID 59503941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).