cyclohexa-1,3-diene;tungsten

C6H7W- — CID 143566411

IUPACcyclohexa-1,3-diene;tungsten
SMILES[C-]1=CC=CCC1.[W]
InChIInChI=1S/C6H7.W/c1-2-4-6-5-3-1;/h1-3H,4,6H2;/q-1;
InChIKeyBBWSPHHEXNICKR-UHFFFAOYSA-N
MW262.96 g/mol
LogP1.69
Rot. Bonds

About cyclohexa-1,3-diene;tungsten

cyclohexa-1,3-diene;tungsten (PubChem CID 143566411) has the molecular formula C6H7W- and a molecular weight of 262.96 g/mol. Its IUPAC name is cyclohexa-1,3-diene;tungsten.

Molecular Properties

Compound Namecyclohexa-1,3-diene;tungsten
PubChem CID143566411
Molecular FormulaC6H7W-
Molecular Weight262.96 g/mol
Exact Mass263.01
IUPAC Namecyclohexa-1,3-diene;tungsten
SMILES[C-]1=CC=CCC1.[W]
InChIInChI=1S/C6H7.W/c1-2-4-6-5-3-1;/h1-3H,4,6H2;/q-1;
InChIKeyBBWSPHHEXNICKR-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.96
LogP ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-diene;tungsten?
The IUPAC name of cyclohexa-1,3-diene;tungsten (CID 143566411) is cyclohexa-1,3-diene;tungsten.
What is the SMILES notation for cyclohexa-1,3-diene;tungsten?
The canonical SMILES for cyclohexa-1,3-diene;tungsten is [C-]1=CC=CCC1.[W].
What is the InChIKey of cyclohexa-1,3-diene;tungsten?
The InChIKey is BBWSPHHEXNICKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.W/c1-2-4-6-5-3-1;/h1-3H,4,6H2;/q-1;.
What are the key properties of cyclohexa-1,3-diene;tungsten?
cyclohexa-1,3-diene;tungsten has a molecular weight of 262.96 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-diene;tungsten is sourced from PubChem (CID 143566411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).