(3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten

C7H7PW — CID 160523766

IUPAC(3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten
SMILESC#CC(C=C)=CC(P)=[W]
InChIInChI=1S/C7H7P.W/c1-3-7(4-2)5-6-8;/h1,4-5H,2,8H2;
InChIKeyXORUODXZAXASCA-UHFFFAOYSA-N
MW305.95 g/mol
LogP1.28
Rot. Bonds2

About (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten

(3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten (PubChem CID 160523766) has the molecular formula C7H7PW and a molecular weight of 305.95 g/mol. Its IUPAC name is (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten.

Molecular Properties

Compound Name(3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten
PubChem CID160523766
Molecular FormulaC7H7PW
Molecular Weight305.95 g/mol
Exact Mass305.98
IUPAC Name(3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten
SMILESC#CC(C=C)=CC(P)=[W]
InChIInChI=1S/C7H7P.W/c1-3-7(4-2)5-6-8;/h1,4-5H,2,8H2;
InChIKeyXORUODXZAXASCA-UHFFFAOYSA-N
XLogP1.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.95
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten?
The IUPAC name of (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten (CID 160523766) is (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten.
What is the SMILES notation for (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten?
The canonical SMILES for (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten is C#CC(C=C)=CC(P)=[W].
What is the InChIKey of (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten?
The InChIKey is XORUODXZAXASCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7P.W/c1-3-7(4-2)5-6-8;/h1,4-5H,2,8H2;.
What are the key properties of (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten?
(3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten has a molecular weight of 305.95 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten is sourced from PubChem (CID 160523766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).