4,4,5,5-tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten

C11H20NOW- — CID 58361828

IUPAC4,4,5,5-tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten
SMILESC[C-](C)CC1=NOC(C)(C)C1(C)C.[W]
InChIInChI=1S/C11H20NO.W/c1-8(2)7-9-10(3,4)11(5,6)13-12-9;/h7H2,1-6H3;/q-1;
InChIKeyXCEBKTDTGCCCLX-UHFFFAOYSA-N
MW366.13 g/mol
LogP3.18
Rot. Bonds2

About 4,4,5,5-tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten

4,4,5,5-tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten (PubChem CID 58361828) has the molecular formula C11H20NOW- and a molecular weight of 366.13 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten
PubChem CID58361828
Molecular FormulaC11H20NOW-
Molecular Weight366.13 g/mol
Exact Mass366.11
IUPAC Name4,4,5,5-tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten
SMILESC[C-](C)CC1=NOC(C)(C)C1(C)C.[W]
InChIInChI=1S/C11H20NO.W/c1-8(2)7-9-10(3,4)11(5,6)13-12-9;/h7H2,1-6H3;/q-1;
InChIKeyXCEBKTDTGCCCLX-UHFFFAOYSA-N
XLogP3.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.13
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten?
The IUPAC name of 4,4,5,5-tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten (CID 58361828) is 4,4,5,5-tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten.
What is the SMILES notation for 4,4,5,5-tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten?
The canonical SMILES for 4,4,5,5-tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten is C[C-](C)CC1=NOC(C)(C)C1(C)C.[W].
What is the InChIKey of 4,4,5,5-tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten?
The InChIKey is XCEBKTDTGCCCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO.W/c1-8(2)7-9-10(3,4)11(5,6)13-12-9;/h7H2,1-6H3;/q-1;.
What are the key properties of 4,4,5,5-tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten?
4,4,5,5-tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten has a molecular weight of 366.13 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten is sourced from PubChem (CID 58361828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).