ethane;methylbenzene;tungsten(2+)

C18H26W — CID 159613245

IUPACethane;methylbenzene;tungsten(2+)
SMILESCC.CC.Cc1c[c-]ccc1.Cc1c[c-]ccc1.[W+2]
InChIInChI=1S/2C7H7.2C2H6.W/c2*1-7-5-3-2-4-6-7;2*1-2;/h2*2-3,5-6H,1H3;2*1-2H3;/q2*-1;;;+2
InChIKeyYPCKVYGBFOANEC-UHFFFAOYSA-N
MW426.25 g/mol
LogP5.64
Rot. Bonds

About ethane;methylbenzene;tungsten(2+)

ethane;methylbenzene;tungsten(2+) (PubChem CID 159613245) has the molecular formula C18H26W and a molecular weight of 426.25 g/mol. Its IUPAC name is ethane;methylbenzene;tungsten(2+).

Molecular Properties

Compound Nameethane;methylbenzene;tungsten(2+)
PubChem CID159613245
Molecular FormulaC18H26W
Molecular Weight426.25 g/mol
Exact Mass426.15
IUPAC Nameethane;methylbenzene;tungsten(2+)
SMILESCC.CC.Cc1c[c-]ccc1.Cc1c[c-]ccc1.[W+2]
InChIInChI=1S/2C7H7.2C2H6.W/c2*1-7-5-3-2-4-6-7;2*1-2;/h2*2-3,5-6H,1H3;2*1-2H3;/q2*-1;;;+2
InChIKeyYPCKVYGBFOANEC-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.25
LogP ≤ 55.64
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 174442197
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CID 161381388
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CID 143728683
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CID 154652507

Frequently Asked Questions

What is the IUPAC name of ethane;methylbenzene;tungsten(2+)?
The IUPAC name of ethane;methylbenzene;tungsten(2+) (CID 159613245) is ethane;methylbenzene;tungsten(2+).
What is the SMILES notation for ethane;methylbenzene;tungsten(2+)?
The canonical SMILES for ethane;methylbenzene;tungsten(2+) is CC.CC.Cc1c[c-]ccc1.Cc1c[c-]ccc1.[W+2].
What is the InChIKey of ethane;methylbenzene;tungsten(2+)?
The InChIKey is YPCKVYGBFOANEC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7.2C2H6.W/c2*1-7-5-3-2-4-6-7;2*1-2;/h2*2-3,5-6H,1H3;2*1-2H3;/q2*-1;;;+2.
What are the key properties of ethane;methylbenzene;tungsten(2+)?
ethane;methylbenzene;tungsten(2+) has a molecular weight of 426.25 g/mol, XLogP of 5.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylbenzene;tungsten(2+) is sourced from PubChem (CID 159613245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).