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

C12H26PW- — CID 160523765

IUPAC(3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten;methane
SMILESC.C.C.C.C.[H]/[C-]=C/C(C#C)=CC(P)=[W]
InChIInChI=1S/C7H6P.5CH4.W/c1-3-7(4-2)5-6-8;;;;;;/h1-3,5H,8H2;5*1H4;/q-1;;;;;;
InChIKeyVLTKGWHOFZPKTJ-UHFFFAOYSA-N
MW385.15 g/mol
LogP4.27
Rot. Bonds2

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

(3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten;methane (PubChem CID 160523765) has the molecular formula C12H26PW- and a molecular weight of 385.15 g/mol. Its IUPAC name is (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten;methane.

Molecular Properties

Compound Name(3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten;methane
PubChem CID160523765
Molecular FormulaC12H26PW-
Molecular Weight385.15 g/mol
Exact Mass385.13
IUPAC Name(3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten;methane
SMILESC.C.C.C.C.[H]/[C-]=C/C(C#C)=CC(P)=[W]
InChIInChI=1S/C7H6P.5CH4.W/c1-3-7(4-2)5-6-8;;;;;;/h1-3,5H,8H2;5*1H4;/q-1;;;;;;
InChIKeyVLTKGWHOFZPKTJ-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.15
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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;methane?
The IUPAC name of (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten;methane (CID 160523765) is (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten;methane.
What is the SMILES notation for (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten;methane?
The canonical SMILES for (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten;methane is C.C.C.C.C.[H]/[C-]=C/C(C#C)=CC(P)=[W].
What is the InChIKey of (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten;methane?
The InChIKey is VLTKGWHOFZPKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6P.5CH4.W/c1-3-7(4-2)5-6-8;;;;;;/h1-3,5H,8H2;5*1H4;/q-1;;;;;;.
What are the key properties of (3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten;methane?
(3-ethynyl-1-phosphanylpenta-2,4-dienylidene)tungsten;methane has a molecular weight of 385.15 g/mol, XLogP of 4.27, 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;methane is sourced from PubChem (CID 160523765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).