1-phenylethanone;tungsten

C8H7OW- — CID 58914497

IUPAC1-phenylethanone;tungsten
SMILESCC(=O)c1cc[c-]cc1.[W]
InChIInChI=1S/C8H7O.W/c1-7(9)8-5-3-2-4-6-8;/h3-6H,1H3;/q-1;
InChIKeySWGXALXKRKCAIH-UHFFFAOYSA-N
MW302.98 g/mol
LogP1.69
Rot. Bonds1

About 1-phenylethanone;tungsten

1-phenylethanone;tungsten (PubChem CID 58914497) has the molecular formula C8H7OW- and a molecular weight of 302.98 g/mol. Its IUPAC name is 1-phenylethanone;tungsten.

Molecular Properties

Compound Name1-phenylethanone;tungsten
PubChem CID58914497
Molecular FormulaC8H7OW-
Molecular Weight302.98 g/mol
Exact Mass303.00
IUPAC Name1-phenylethanone;tungsten
SMILESCC(=O)c1cc[c-]cc1.[W]
InChIInChI=1S/C8H7O.W/c1-7(9)8-5-3-2-4-6-8;/h3-6H,1H3;/q-1;
InChIKeySWGXALXKRKCAIH-UHFFFAOYSA-N
XLogP1.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.98
LogP ≤ 51.69
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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Related Compounds

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CID 174145295
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CID 177408736
lithium 1-phenylethanone
CID 22269591
acetic acid;1-phenylethanone
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potassium 1-phenylethanone
CID 19980201
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Frequently Asked Questions

What is the IUPAC name of 1-phenylethanone;tungsten?
The IUPAC name of 1-phenylethanone;tungsten (CID 58914497) is 1-phenylethanone;tungsten.
What is the SMILES notation for 1-phenylethanone;tungsten?
The canonical SMILES for 1-phenylethanone;tungsten is CC(=O)c1cc[c-]cc1.[W].
What is the InChIKey of 1-phenylethanone;tungsten?
The InChIKey is SWGXALXKRKCAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O.W/c1-7(9)8-5-3-2-4-6-8;/h3-6H,1H3;/q-1;.
What are the key properties of 1-phenylethanone;tungsten?
1-phenylethanone;tungsten has a molecular weight of 302.98 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethanone;tungsten is sourced from PubChem (CID 58914497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).