1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten

C14H17O3W- — CID 87198979

IUPAC1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten
SMILESO=C=[W](=C=O)=C=O.[CH2-]C1=C(C)C(C)=C(C)C1(C)C
InChIInChI=1S/C11H17.3CO.W/c1-7-8(2)10(4)11(5,6)9(7)3;3*1-2;/h3H2,1-2,4-6H3;;;;/q-1;;;;
InChIKeyPUWGSTVUXQGHAS-UHFFFAOYSA-N
MW417.13 g/mol
LogP2.32
Rot. Bonds

About 1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten

1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten (PubChem CID 87198979) has the molecular formula C14H17O3W- and a molecular weight of 417.13 g/mol. Its IUPAC name is 1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten.

Molecular Properties

Compound Name1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten
PubChem CID87198979
Molecular FormulaC14H17O3W-
Molecular Weight417.13 g/mol
Exact Mass417.07
IUPAC Name1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten
SMILESO=C=[W](=C=O)=C=O.[CH2-]C1=C(C)C(C)=C(C)C1(C)C
InChIInChI=1S/C11H17.3CO.W/c1-7-8(2)10(4)11(5,6)9(7)3;3*1-2;/h3H2,1-2,4-6H3;;;;/q-1;;;;
InChIKeyPUWGSTVUXQGHAS-UHFFFAOYSA-N
XLogP2.32
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.13
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten?
The IUPAC name of 1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten (CID 87198979) is 1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten.
What is the SMILES notation for 1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten?
The canonical SMILES for 1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten is O=C=[W](=C=O)=C=O.[CH2-]C1=C(C)C(C)=C(C)C1(C)C.
What is the InChIKey of 1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten?
The InChIKey is PUWGSTVUXQGHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17.3CO.W/c1-7-8(2)10(4)11(5,6)9(7)3;3*1-2;/h3H2,1-2,4-6H3;;;;/q-1;;;;.
What are the key properties of 1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten?
1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten has a molecular weight of 417.13 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;tris(oxomethylidene)tungsten is sourced from PubChem (CID 87198979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).