cyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium

C13H10Y-2 — CID 149419186

IUPACcyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium
SMILES[C-]1=CCC=CC1=Cc1[c-]cccc1.[Y]
InChIInChI=1S/C13H10.Y/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;/h1,3-7,9,11H,2H2;/q-2;
InChIKeyFNEKVINGXYTNFI-UHFFFAOYSA-N
MW255.13 g/mol
LogP3.19
Rot. Bonds1

About cyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium

cyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium (PubChem CID 149419186) has the molecular formula C13H10Y-2 and a molecular weight of 255.13 g/mol. Its IUPAC name is cyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium.

Molecular Properties

Compound Namecyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium
PubChem CID149419186
Molecular FormulaC13H10Y-2
Molecular Weight255.13 g/mol
Exact Mass254.99
IUPAC Namecyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium
SMILES[C-]1=CCC=CC1=Cc1[c-]cccc1.[Y]
InChIInChI=1S/C13H10.Y/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;/h1,3-7,9,11H,2H2;/q-2;
InChIKeyFNEKVINGXYTNFI-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.13
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 161426906
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CID 59953259
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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium?
The IUPAC name of cyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium (CID 149419186) is cyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium.
What is the SMILES notation for cyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium?
The canonical SMILES for cyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium is [C-]1=CCC=CC1=Cc1[c-]cccc1.[Y].
What is the InChIKey of cyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium?
The InChIKey is FNEKVINGXYTNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.Y/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;/h1,3-7,9,11H,2H2;/q-2;.
What are the key properties of cyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium?
cyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium has a molecular weight of 255.13 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,5-dien-1-ylidenemethylbenzene;yttrium is sourced from PubChem (CID 149419186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).