ethane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten(2+)

C12H20W — CID 174591555

IUPACethane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten(2+)
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[CH2-]C.[W+2]
InChIInChI=1S/C10H15.C2H5.W/c1-7-6-10(4,5)9(3)8(7)2;1-2;/h1-5H3;1H2,2H3;/q2*-1;+2
InChIKeyKGQFPMWJSZNHTN-UHFFFAOYSA-N
MW348.13 g/mol
LogP3.95
Rot. Bonds

About ethane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten(2+)

ethane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten(2+) (PubChem CID 174591555) has the molecular formula C12H20W and a molecular weight of 348.13 g/mol. Its IUPAC name is ethane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten(2+).

Molecular Properties

Compound Nameethane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten(2+)
PubChem CID174591555
Molecular FormulaC12H20W
Molecular Weight348.13 g/mol
Exact Mass348.11
IUPAC Nameethane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten(2+)
SMILESCC1=[C-]C(C)(C)C(C)=C1C.[CH2-]C.[W+2]
InChIInChI=1S/C10H15.C2H5.W/c1-7-6-10(4,5)9(3)8(7)2;1-2;/h1-5H3;1H2,2H3;/q2*-1;+2
InChIKeyKGQFPMWJSZNHTN-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.13
LogP ≤ 53.95
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 ethane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten(2+)?
The IUPAC name of ethane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten(2+) (CID 174591555) is ethane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten(2+).
What is the SMILES notation for ethane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten(2+)?
The canonical SMILES for ethane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten(2+) is CC1=[C-]C(C)(C)C(C)=C1C.[CH2-]C.[W+2].
What is the InChIKey of ethane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten(2+)?
The InChIKey is KGQFPMWJSZNHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C2H5.W/c1-7-6-10(4,5)9(3)8(7)2;1-2;/h1-5H3;1H2,2H3;/q2*-1;+2.
What are the key properties of ethane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten(2+)?
ethane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten(2+) has a molecular weight of 348.13 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;tungsten(2+) is sourced from PubChem (CID 174591555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).