tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine

C82H157N9O4 — CID 158122769

IUPACtert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)C1CCCOC1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccon1.CC(C)(C)c1cn[nH]c1.Cn1nccc1C(C)(C)C
InChIInChI=1S/C10H20.C9H19N.2C9H18O.C8H14N2.C8H17N.C8H16O.2C7H12N2.C7H11NO/c1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-5-6-9-10(7)4;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-5-9-8-6/h9H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;5-6H,1-4H3;7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3;2*4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyFRULTHHKWPEWMO-UHFFFAOYSA-N
MW1333.22 g/mol
LogP21.38
Rot. Bonds

About tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine

tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine (PubChem CID 158122769) has the molecular formula C82H157N9O4 and a molecular weight of 1333.22 g/mol. Its IUPAC name is tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine.

Molecular Properties

Compound Nametert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine
PubChem CID158122769
Molecular FormulaC82H157N9O4
Molecular Weight1333.22 g/mol
Exact Mass1332.24
IUPAC Nametert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine
SMILESCC(C)(C)C1CCCCC1.CC(C)(C)C1CCCOC1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccon1.CC(C)(C)c1cn[nH]c1.Cn1nccc1C(C)(C)C
InChIInChI=1S/C10H20.C9H19N.2C9H18O.C8H14N2.C8H17N.C8H16O.2C7H12N2.C7H11NO/c1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-5-6-9-10(7)4;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-5-9-8-6/h9H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;5-6H,1-4H3;7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3;2*4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyFRULTHHKWPEWMO-UHFFFAOYSA-N
XLogP21.38
TPSA152.96 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001333.22
LogP ≤ 521.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine?
The IUPAC name of tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine (CID 158122769) is tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine.
What is the SMILES notation for tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine?
The canonical SMILES for tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine is CC(C)(C)C1CCCCC1.CC(C)(C)C1CCCOC1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccon1.CC(C)(C)c1cn[nH]c1.Cn1nccc1C(C)(C)C.
What is the InChIKey of tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine?
The InChIKey is FRULTHHKWPEWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C9H19N.2C9H18O.C8H14N2.C8H17N.C8H16O.2C7H12N2.C7H11NO/c1-10(2,3)9-7-5-4-6-8-9;2*1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-5-6-9-10(7)4;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-5-9-8-6/h9H,4-8H2,1-3H3;8,10H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;5-6H,1-4H3;7,9H,4-6H2,1-3H3;7H,4-6H2,1-3H3;2*4-5H,1-3H3,(H,8,9);4-5H,1-3H3.
What are the key properties of tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine?
tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine has a molecular weight of 1333.22 g/mol, XLogP of 21.38, 0 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclohexane;5-tert-butyl-1-methylpyrazole;3-tert-butyloxane;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;3-tert-butyloxolane;4-tert-butylpiperidine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyrrolidine is sourced from PubChem (CID 158122769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).