(4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium

C13H15OY- — CID 134861705

IUPAC(4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium
SMILESCC1COCC/C1=C\c1cc[c-]cc1.[Y]
InChIInChI=1S/C13H15O.Y/c1-11-10-14-8-7-13(11)9-12-5-3-2-4-6-12;/h3-6,9,11H,7-8,10H2,1H3;/q-1;/b13-9+;
InChIKeyZBOCFROPDZWUNG-KJEVSKRMSA-N
MW276.17 g/mol
LogP2.92
Rot. Bonds1

About (4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium

(4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium (PubChem CID 134861705) has the molecular formula C13H15OY- and a molecular weight of 276.17 g/mol. Its IUPAC name is (4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium.

Molecular Properties

Compound Name(4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium
PubChem CID134861705
Molecular FormulaC13H15OY-
Molecular Weight276.17 g/mol
Exact Mass276.02
IUPAC Name(4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium
SMILESCC1COCC/C1=C\c1cc[c-]cc1.[Y]
InChIInChI=1S/C13H15O.Y/c1-11-10-14-8-7-13(11)9-12-5-3-2-4-6-12;/h3-6,9,11H,7-8,10H2,1H3;/q-1;/b13-9+;
InChIKeyZBOCFROPDZWUNG-KJEVSKRMSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.92
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 (4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium?
The IUPAC name of (4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium (CID 134861705) is (4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium.
What is the SMILES notation for (4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium?
The canonical SMILES for (4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium is CC1COCC/C1=C\c1cc[c-]cc1.[Y].
What is the InChIKey of (4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium?
The InChIKey is ZBOCFROPDZWUNG-KJEVSKRMSA-N. The full InChI is InChI=1S/C13H15O.Y/c1-11-10-14-8-7-13(11)9-12-5-3-2-4-6-12;/h3-6,9,11H,7-8,10H2,1H3;/q-1;/b13-9+;.
What are the key properties of (4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium?
(4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium has a molecular weight of 276.17 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-methyl-4-(phenylmethylidene)oxane;yttrium is sourced from PubChem (CID 134861705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).