4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole

C30H59N3O2 — CID 158553551

IUPAC4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole
SMILESC1=CCOCC1.CC.CC(C)(C)C.CC(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cn1cccn1
InChIInChI=1S/C9H15NO.C5H8O.2C5H12.C4H6N2.C2H6/c1-6-8(9(3,4)5)7(2)11-10-6;1-2-4-6-5-3-1;2*1-5(2,3)4;1-6-4-2-3-5-6;1-2/h1-5H3;1-2H,3-5H2;2*1-4H3;2-4H,1H3;1-2H3
InChIKeyHPZWVGJHQXLASQ-UHFFFAOYSA-N
MW493.82 g/mol
LogP9.10
Rot. Bonds

About 4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole

4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole (PubChem CID 158553551) has the molecular formula C30H59N3O2 and a molecular weight of 493.82 g/mol. Its IUPAC name is 4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole.

Molecular Properties

Compound Name4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole
PubChem CID158553551
Molecular FormulaC30H59N3O2
Molecular Weight493.82 g/mol
Exact Mass493.46
IUPAC Name4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole
SMILESC1=CCOCC1.CC.CC(C)(C)C.CC(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cn1cccn1
InChIInChI=1S/C9H15NO.C5H8O.2C5H12.C4H6N2.C2H6/c1-6-8(9(3,4)5)7(2)11-10-6;1-2-4-6-5-3-1;2*1-5(2,3)4;1-6-4-2-3-5-6;1-2/h1-5H3;1-2H,3-5H2;2*1-4H3;2-4H,1H3;1-2H3
InChIKeyHPZWVGJHQXLASQ-UHFFFAOYSA-N
XLogP9.10
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.82
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole?
The IUPAC name of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole (CID 158553551) is 4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole.
What is the SMILES notation for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole?
The canonical SMILES for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole is C1=CCOCC1.CC.CC(C)(C)C.CC(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cn1cccn1.
What is the InChIKey of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole?
The InChIKey is HPZWVGJHQXLASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C5H8O.2C5H12.C4H6N2.C2H6/c1-6-8(9(3,4)5)7(2)11-10-6;1-2-4-6-5-3-1;2*1-5(2,3)4;1-6-4-2-3-5-6;1-2/h1-5H3;1-2H,3-5H2;2*1-4H3;2-4H,1H3;1-2H3.
What are the key properties of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole?
4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole has a molecular weight of 493.82 g/mol, XLogP of 9.10, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;3,6-dihydro-2H-pyran;bis(2,2-dimethylpropane);ethane;1-methylpyrazole is sourced from PubChem (CID 158553551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).