cyclohexane;ethanone;tungsten(2+)

C8H14OW — CID 59636637

IUPACcyclohexane;ethanone;tungsten(2+)
SMILESC[C-]=O.[CH-]1CCCCC1.[W+2]
InChIInChI=1S/C6H11.C2H3O.W/c1-2-4-6-5-3-1;1-2-3;/h1H,2-6H2;1H3;/q2*-1;+2
InChIKeyKDJGJIKEVAWAKR-UHFFFAOYSA-N
MW310.04 g/mol
LogP2.27
Rot. Bonds

About cyclohexane;ethanone;tungsten(2+)

cyclohexane;ethanone;tungsten(2+) (PubChem CID 59636637) has the molecular formula C8H14OW and a molecular weight of 310.04 g/mol. Its IUPAC name is cyclohexane;ethanone;tungsten(2+).

Molecular Properties

Compound Namecyclohexane;ethanone;tungsten(2+)
PubChem CID59636637
Molecular FormulaC8H14OW
Molecular Weight310.04 g/mol
Exact Mass310.06
IUPAC Namecyclohexane;ethanone;tungsten(2+)
SMILESC[C-]=O.[CH-]1CCCCC1.[W+2]
InChIInChI=1S/C6H11.C2H3O.W/c1-2-4-6-5-3-1;1-2-3;/h1H,2-6H2;1H3;/q2*-1;+2
InChIKeyKDJGJIKEVAWAKR-UHFFFAOYSA-N
XLogP2.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.04
LogP ≤ 52.27
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 cyclohexane;ethanone;tungsten(2+)?
The IUPAC name of cyclohexane;ethanone;tungsten(2+) (CID 59636637) is cyclohexane;ethanone;tungsten(2+).
What is the SMILES notation for cyclohexane;ethanone;tungsten(2+)?
The canonical SMILES for cyclohexane;ethanone;tungsten(2+) is C[C-]=O.[CH-]1CCCCC1.[W+2].
What is the InChIKey of cyclohexane;ethanone;tungsten(2+)?
The InChIKey is KDJGJIKEVAWAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11.C2H3O.W/c1-2-4-6-5-3-1;1-2-3;/h1H,2-6H2;1H3;/q2*-1;+2.
What are the key properties of cyclohexane;ethanone;tungsten(2+)?
cyclohexane;ethanone;tungsten(2+) has a molecular weight of 310.04 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;ethanone;tungsten(2+) is sourced from PubChem (CID 59636637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).