bis(2,4-dimethylpentane);propane;tungsten(2+)

C20H46W — CID 157303030

IUPACbis(2,4-dimethylpentane);propane;tungsten(2+)
SMILESCC(C)CC(C)C.CC(C)CC(C)C.C[CH-]C.C[CH-]C.[W+2]
InChIInChI=1S/2C7H16.2C3H7.W/c2*1-6(2)5-7(3)4;2*1-3-2;/h2*6-7H,5H2,1-4H3;2*3H,1-2H3;/q;;2*-1;+2
InChIKeyBCCXKVIJINYBCC-UHFFFAOYSA-N
MW470.43 g/mol
LogP7.84
Rot. Bonds4

About bis(2,4-dimethylpentane);propane;tungsten(2+)

bis(2,4-dimethylpentane);propane;tungsten(2+) (PubChem CID 157303030) has the molecular formula C20H46W and a molecular weight of 470.43 g/mol. Its IUPAC name is bis(2,4-dimethylpentane);propane;tungsten(2+).

Molecular Properties

Compound Namebis(2,4-dimethylpentane);propane;tungsten(2+)
PubChem CID157303030
Molecular FormulaC20H46W
Molecular Weight470.43 g/mol
Exact Mass470.31
IUPAC Namebis(2,4-dimethylpentane);propane;tungsten(2+)
SMILESCC(C)CC(C)C.CC(C)CC(C)C.C[CH-]C.C[CH-]C.[W+2]
InChIInChI=1S/2C7H16.2C3H7.W/c2*1-6(2)5-7(3)4;2*1-3-2;/h2*6-7H,5H2,1-4H3;2*3H,1-2H3;/q;;2*-1;+2
InChIKeyBCCXKVIJINYBCC-UHFFFAOYSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.43
LogP ≤ 57.84
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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Related Compounds

Aluminum, tris(4-methylpentyl)-
CID 16683113
Tris(2-methylpentyl)aluminium
CID 16684110
Borane, tris(2-methylpentyl)-
CID 10061453
2,3-Dimethylbutane 2-methylpentane 3-methylpentane
CID 129731847
CID 101972021
CID 101972021
Bis(3-methylbutan-2-yl)-(4-methylpentan-2-yl)borane
CID 86231735
Bis(3-methylbutan-2-yl)-(2-methylpentyl)borane
CID 86231740
Tris(2-methylpentan-3-yl)borane
CID 134896969
CID 134902704
CID 134902704
CID 134902707
CID 134902707
CID 135046369
CID 135046369
CID 135046845
CID 135046845

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylpentane);propane;tungsten(2+)?
The IUPAC name of bis(2,4-dimethylpentane);propane;tungsten(2+) (CID 157303030) is bis(2,4-dimethylpentane);propane;tungsten(2+).
What is the SMILES notation for bis(2,4-dimethylpentane);propane;tungsten(2+)?
The canonical SMILES for bis(2,4-dimethylpentane);propane;tungsten(2+) is CC(C)CC(C)C.CC(C)CC(C)C.C[CH-]C.C[CH-]C.[W+2].
What is the InChIKey of bis(2,4-dimethylpentane);propane;tungsten(2+)?
The InChIKey is BCCXKVIJINYBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16.2C3H7.W/c2*1-6(2)5-7(3)4;2*1-3-2;/h2*6-7H,5H2,1-4H3;2*3H,1-2H3;/q;;2*-1;+2.
What are the key properties of bis(2,4-dimethylpentane);propane;tungsten(2+)?
bis(2,4-dimethylpentane);propane;tungsten(2+) has a molecular weight of 470.43 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethylpentane);propane;tungsten(2+) is sourced from PubChem (CID 157303030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).