pentane;tungsten

C5H10W3-2 — CID 59637645

IUPACpentane;tungsten
SMILESC[CH-]C[CH-]C.[W].[W].[W]
InChIInChI=1S/C5H10.3W/c1-3-5-4-2;;;/h3-4H,5H2,1-2H3;;;/q-2;;;
InChIKeyVLEHJGCHLWPYDV-UHFFFAOYSA-N
MW621.65 g/mol
LogP1.82
Rot. Bonds2

About pentane;tungsten

pentane;tungsten (PubChem CID 59637645) has the molecular formula C5H10W3-2 and a molecular weight of 621.65 g/mol. Its IUPAC name is pentane;tungsten.

Molecular Properties

Compound Namepentane;tungsten
PubChem CID59637645
Molecular FormulaC5H10W3-2
Molecular Weight621.65 g/mol
Exact Mass621.93
IUPAC Namepentane;tungsten
SMILESC[CH-]C[CH-]C.[W].[W].[W]
InChIInChI=1S/C5H10.3W/c1-3-5-4-2;;;/h3-4H,5H2,1-2H3;;;/q-2;;;
InChIKeyVLEHJGCHLWPYDV-UHFFFAOYSA-N
XLogP1.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.65
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze pentane;tungsten with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbanide;dichlororuthenium;pentane
CID 22956552
butane;methane;tungsten
CID 157200339
ethane;1-fluorobutane;tris(yttrium)
CID 157320924
butane;carbanide;ethane;tungsten;bis(tungsten(2+))
CID 162247948
butane;copper(1+)
CID 12885279
CID 161142397
CID 161142397
azanide;butane;titanium(2+)
CID 174478901
butane;carbanide;yttrium(3+)
CID 20617495
potassium;butane;hydrate
CID 172820423
carbanide;propane;tungsten;tungsten(2+)
CID 20687856
butane;fluorogold
CID 152637603
butane;carbanide;methane;yttrium
CID 157177744

Frequently Asked Questions

What is the IUPAC name of pentane;tungsten?
The IUPAC name of pentane;tungsten (CID 59637645) is pentane;tungsten.
What is the SMILES notation for pentane;tungsten?
The canonical SMILES for pentane;tungsten is C[CH-]C[CH-]C.[W].[W].[W].
What is the InChIKey of pentane;tungsten?
The InChIKey is VLEHJGCHLWPYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.3W/c1-3-5-4-2;;;/h3-4H,5H2,1-2H3;;;/q-2;;;.
What are the key properties of pentane;tungsten?
pentane;tungsten has a molecular weight of 621.65 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentane;tungsten is sourced from PubChem (CID 59637645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).