carbon monoxide;1,3,5-trimethylbenzene;tungsten

C12H12O3W — CID 10981963

IUPACcarbon monoxide;1,3,5-trimethylbenzene;tungsten
SMILESCc1cc(C)cc(C)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChIInChI=1S/C9H12.3CO.W/c1-7-4-8(2)6-9(3)5-7;3*1-2;/h4-6H,1-3H3;;;;
InChIKeyOENLQXWEAUYNBC-UHFFFAOYSA-N
MW388.07 g/mol
LogP2.50
Rot. Bonds

About carbon monoxide;1,3,5-trimethylbenzene;tungsten

carbon monoxide;1,3,5-trimethylbenzene;tungsten (PubChem CID 10981963) has the molecular formula C12H12O3W and a molecular weight of 388.07 g/mol. Its IUPAC name is carbon monoxide;1,3,5-trimethylbenzene;tungsten.

Molecular Properties

Compound Namecarbon monoxide;1,3,5-trimethylbenzene;tungsten
PubChem CID10981963
Molecular FormulaC12H12O3W
Molecular Weight388.07 g/mol
Exact Mass388.03
IUPAC Namecarbon monoxide;1,3,5-trimethylbenzene;tungsten
SMILESCc1cc(C)cc(C)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChIInChI=1S/C9H12.3CO.W/c1-7-4-8(2)6-9(3)5-7;3*1-2;/h4-6H,1-3H3;;;;
InChIKeyOENLQXWEAUYNBC-UHFFFAOYSA-N
XLogP2.50
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.07
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1,3,5-trimethylbenzene;tungsten?
The IUPAC name of carbon monoxide;1,3,5-trimethylbenzene;tungsten (CID 10981963) is carbon monoxide;1,3,5-trimethylbenzene;tungsten.
What is the SMILES notation for carbon monoxide;1,3,5-trimethylbenzene;tungsten?
The canonical SMILES for carbon monoxide;1,3,5-trimethylbenzene;tungsten is Cc1cc(C)cc(C)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[W].
What is the InChIKey of carbon monoxide;1,3,5-trimethylbenzene;tungsten?
The InChIKey is OENLQXWEAUYNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.3CO.W/c1-7-4-8(2)6-9(3)5-7;3*1-2;/h4-6H,1-3H3;;;;.
What are the key properties of carbon monoxide;1,3,5-trimethylbenzene;tungsten?
carbon monoxide;1,3,5-trimethylbenzene;tungsten has a molecular weight of 388.07 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1,3,5-trimethylbenzene;tungsten is sourced from PubChem (CID 10981963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).