tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopropane;4-tert-butylmorpholine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyloxolane;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethane;methane

C132H281N11O5 — CID 167588804

About tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopropane;4-tert-butylmorpholine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyloxolane;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethane;methane

tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopropane;4-tert-butylmorpholine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyloxolane;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethane;methane (PubChem CID 167588804) has the molecular formula C132H281N11O5 and a molecular weight of 2102.77 g/mol. Its IUPAC name is tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopropane;4-tert-butylmorpholine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyloxolane;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethane;methane.

Molecular Properties

• Compound Name: tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopropane;4-tert-butylmorpholine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyloxolane;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethane;methane
• PubChem CID: 167588804
• Molecular Formula: C132H281N11O5
• Molecular Weight: 2102.77 g/mol
• Exact Mass: 2101.21
• IUPAC Name: tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopropane;4-tert-butylmorpholine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyloxolane;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethane;methane
• SMILES: C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCO1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1ncon1
• InChI: InChI=1S/C10H19NO.C10H14.C9H17NO.2C9H13N.C8H12N2.C8H17NO.C8H16O.C8H16.C7H12N2.C7H14.C6H10N2O.12C2H6.9CH4/c1-10(2,3)9(12)11-7-5-4-6-8-11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8(11)10-6-4-5-7-10;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-6;1-6(2,3)5-7-4-9-8-5;12*1-2;;;;;;;;;/h4-8H2,1-3H3;4-8H,1-3H3;4-7H2,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;4-7H2,1-3H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;4-5H,1-3H3,(H,8,9);6H,4-5H2,1-3H3;4H,1-3H3;12*1-2H3;9*1H4
• InChIKey: IDPWUJSMQMBPSP-UHFFFAOYSA-N
• XLogP: 42.93
• TPSA: 181.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2102.77
LogP ≤ 5	42.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopropane;4-tert-butylmorpholine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyloxolane;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethane;methane?

The IUPAC name of tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopropane;4-tert-butylmorpholine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyloxolane;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethane;methane (CID 167588804) is tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopropane;4-tert-butylmorpholine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyloxolane;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethane;methane.

What is the SMILES notation for tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopropane;4-tert-butylmorpholine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyloxolane;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethane;methane?

The canonical SMILES for tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopropane;4-tert-butylmorpholine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyloxolane;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethane;methane is C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCO1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1ncon1.

What is the InChIKey of tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopropane;4-tert-butylmorpholine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyloxolane;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethane;methane?

The InChIKey is IDPWUJSMQMBPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C10H14.C9H17NO.2C9H13N.C8H12N2.C8H17NO.C8H16O.C8H16.C7H12N2.C7H14.C6H10N2O.12C2H6.9CH4/c1-10(2,3)9(12)11-7-5-4-6-8-11;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8(11)10-6-4-5-7-10;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-4-5-6;1-6(2,3)5-7-4-9-8-5;12*1-2;;;;;;;;;/h4-8H2,1-3H3;4-8H,1-3H3;4-7H2,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;4-7H2,1-3H3;7H,4-6H2,1-3H3;7H,4-6H2,1-3H3;4-5H,1-3H3,(H,8,9);6H,4-5H2,1-3H3;4H,1-3H3;12*1-2H3;9*1H4.

What are the key properties of tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopropane;4-tert-butylmorpholine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyloxolane;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethane;methane?

tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopropane;4-tert-butylmorpholine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyloxolane;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethane;methane has a molecular weight of 2102.77 g/mol, XLogP of 42.93, 0 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclopropane;4-tert-butylmorpholine;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyloxolane;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethane;methane is sourced from PubChem (CID 167588804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).