tert-butylbenzene;2-methylpropane;tungsten(2+)

C14H22W — CID 155627048

IUPACtert-butylbenzene;2-methylpropane;tungsten(2+)
SMILESCC(C)(C)c1c[c-]ccc1.C[C-](C)C.[W+2]
InChIInChI=1S/C10H13.C4H9.W/c1-10(2,3)9-7-5-4-6-8-9;1-4(2)3;/h4-5,7-8H,1-3H3;1-3H3;/q2*-1;+2
InChIKeyHITSSQOFNZXHGD-UHFFFAOYSA-N
MW374.17 g/mol
LogP4.40
Rot. Bonds

About tert-butylbenzene;2-methylpropane;tungsten(2+)

tert-butylbenzene;2-methylpropane;tungsten(2+) (PubChem CID 155627048) has the molecular formula C14H22W and a molecular weight of 374.17 g/mol. Its IUPAC name is tert-butylbenzene;2-methylpropane;tungsten(2+).

Molecular Properties

Compound Nametert-butylbenzene;2-methylpropane;tungsten(2+)
PubChem CID155627048
Molecular FormulaC14H22W
Molecular Weight374.17 g/mol
Exact Mass374.12
IUPAC Nametert-butylbenzene;2-methylpropane;tungsten(2+)
SMILESCC(C)(C)c1c[c-]ccc1.C[C-](C)C.[W+2]
InChIInChI=1S/C10H13.C4H9.W/c1-10(2,3)9-7-5-4-6-8-9;1-4(2)3;/h4-5,7-8H,1-3H3;1-3H3;/q2*-1;+2
InChIKeyHITSSQOFNZXHGD-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.17
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tert-butylbenzene;2-methylpropane;tungsten(2+) 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

2-methanidylpropan-2-ylbenzene;nickel(2+);bis(trimethylphosphane)
CID 15972650
methanidylbenzene;bis(2-methylpropane);tris(vanadium);bis(vanadium(2+))
CID 58055480
trifluoromethylbenzene;zinc;hydrochloride
CID 87245768
ethane;methylbenzene;tungsten(2+)
CID 159613245
bromozinc(1+);1-tert-butyl-4-phenylbenzene
CID 146002241
methylbenzene
CID 5150539
lithium;iodozinc(1+);trifluoromethylbenzene;chloride
CID 135076249
1,3-ditert-butylbenzene-5-ide;yttrium
CID 156851219
ethylbenzene;zinc
CID 142196329
methylbenzene;tungsten
CID 58806185
ethylsulfanylethane;methylbenzene;bis(platinum(2+))
CID 15975296
carbanide;methylbenzene;propane;yttrium
CID 157106806

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;2-methylpropane;tungsten(2+)?
The IUPAC name of tert-butylbenzene;2-methylpropane;tungsten(2+) (CID 155627048) is tert-butylbenzene;2-methylpropane;tungsten(2+).
What is the SMILES notation for tert-butylbenzene;2-methylpropane;tungsten(2+)?
The canonical SMILES for tert-butylbenzene;2-methylpropane;tungsten(2+) is CC(C)(C)c1c[c-]ccc1.C[C-](C)C.[W+2].
What is the InChIKey of tert-butylbenzene;2-methylpropane;tungsten(2+)?
The InChIKey is HITSSQOFNZXHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13.C4H9.W/c1-10(2,3)9-7-5-4-6-8-9;1-4(2)3;/h4-5,7-8H,1-3H3;1-3H3;/q2*-1;+2.
What are the key properties of tert-butylbenzene;2-methylpropane;tungsten(2+)?
tert-butylbenzene;2-methylpropane;tungsten(2+) has a molecular weight of 374.17 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;2-methylpropane;tungsten(2+) is sourced from PubChem (CID 155627048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).