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

C123H245N11O5 — CID 167665694

IUPACtert-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
SMILESCC.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
InChIInChI=1S/C10H19NO.C10H14.C9H17NO.2C9H13N.C8H12N2.C8H17NO.C8H16O.C8H16.C7H12N2.C7H14.C6H10N2O.12C2H6/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
InChIKeySPKIVBOQADZCMR-UHFFFAOYSA-N
MW1958.38 g/mol
LogP37.21
Rot. Bonds

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

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 (PubChem CID 167665694) has the molecular formula C123H245N11O5 and a molecular weight of 1958.38 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.

Molecular Properties

Compound Nametert-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
PubChem CID167665694
Molecular FormulaC123H245N11O5
Molecular Weight1958.38 g/mol
Exact Mass1956.93
IUPAC Nametert-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
SMILESCC.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
InChIInChI=1S/C10H19NO.C10H14.C9H17NO.2C9H13N.C8H12N2.C8H17NO.C8H16O.C8H16.C7H12N2.C7H14.C6H10N2O.12C2H6/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
InChIKeySPKIVBOQADZCMR-UHFFFAOYSA-N
XLogP37.21
TPSA181.48 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.38
LogP ≤ 537.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;1-tert-butyl-3,3-dimethylpyrrolidin-2-one;5-tert-butyl-1-methylpyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine-3-carbonitrile;4-tert-butyl-1,3,5-trimethylpyrazole
CID 161166310
5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-1-methylpyrazole;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine-3-carbonitrile;4-tert-butyl-1,3,5-trimethylpyrazole
CID 163869276
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

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?
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 (CID 167665694) 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.
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?
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 is 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?
The InChIKey is SPKIVBOQADZCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C10H14.C9H17NO.2C9H13N.C8H12N2.C8H17NO.C8H16O.C8H16.C7H12N2.C7H14.C6H10N2O.12C2H6/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.
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?
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 has a molecular weight of 1958.38 g/mol, XLogP of 37.21, 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 is sourced from PubChem (CID 167665694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).