tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene

C100H161N9O2S4 — CID 162017549

IUPACtert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
SMILESCC(C)(C)C1=CN=CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1nccs1.CC(C)(C)c1nncs1
InChIInChI=1S/C13H15N.C10H20.C10H14.C9H13N.C8H17NO.C8H13N.C8H12S.C7H11NO.2C7H11NS.C7H14.C6H10N2S/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-6;1-6(2,3)5-8-7-4-9-5/h4-9H,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-7H2,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;3*4-5H,1-3H3;6H,4-5H2,1-3H3;4H,1-3H3
InChIKeyYUHTWMRQPDAYFD-UHFFFAOYSA-N
MW1649.72 g/mol
LogP30.19
Rot. Bonds

About tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene

tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene (PubChem CID 162017549) has the molecular formula C100H161N9O2S4 and a molecular weight of 1649.72 g/mol. Its IUPAC name is tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene.

Molecular Properties

Compound Nametert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
PubChem CID162017549
Molecular FormulaC100H161N9O2S4
Molecular Weight1649.72 g/mol
Exact Mass1648.17
IUPAC Nametert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
SMILESCC(C)(C)C1=CN=CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1nccs1.CC(C)(C)c1nncs1
InChIInChI=1S/C13H15N.C10H20.C10H14.C9H13N.C8H17NO.C8H13N.C8H12S.C7H11NO.2C7H11NS.C7H14.C6H10N2S/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-6;1-6(2,3)5-8-7-4-9-5/h4-9H,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-7H2,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;3*4-5H,1-3H3;6H,4-5H2,1-3H3;4H,1-3H3
InChIKeyYUHTWMRQPDAYFD-UHFFFAOYSA-N
XLogP30.19
TPSA128.20 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001649.72
LogP ≤ 530.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene with MolForge

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Launch Full Analysis

Related Compounds

cumene;ethane;2-propan-2-yl-1H-indene;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,3-oxazole;3-propan-2-yl-4H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole
CID 157758034
tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;bis(4-tert-butyl-3H-pyrrole);3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 159024855

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene?
The IUPAC name of tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene (CID 162017549) is tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene.
What is the SMILES notation for tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene?
The canonical SMILES for tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene is CC(C)(C)C1=CN=CC1.CC(C)(C)C1CC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnco1.CC(C)(C)c1cncs1.CC(C)(C)c1nccs1.CC(C)(C)c1nncs1.
What is the InChIKey of tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene?
The InChIKey is YUHTWMRQPDAYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C10H20.C10H14.C9H13N.C8H17NO.C8H13N.C8H12S.C7H11NO.2C7H11NS.C7H14.C6H10N2S/c1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-6;1-6(2,3)5-8-7-4-9-5/h4-9H,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-7H2,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3;3*4-5H,1-3H3;6H,4-5H2,1-3H3;4H,1-3H3.
What are the key properties of tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene?
tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene has a molecular weight of 1649.72 g/mol, XLogP of 30.19, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;tert-butylcyclohexane;tert-butylcyclopropane;4-tert-butylmorpholine;5-tert-butyl-1,3-oxazole;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene is sourced from PubChem (CID 162017549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).