2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane

C61H110N2O5S2 — CID 157074805

IUPAC2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane
SMILESC.C.C.C.C.C.C.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccno1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1
InChIInChI=1S/3C8H12O.2C8H12S.2C7H11NO.7CH4/c2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;;;;;;;/h5*4-6H,1-3H3;2*4-5H,1-3H3;7*1H4
InChIKeyACVRJHSPHPBEAZ-UHFFFAOYSA-N
MW1015.69 g/mol
LogP22.22
Rot. Bonds

About 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane

2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane (PubChem CID 157074805) has the molecular formula C61H110N2O5S2 and a molecular weight of 1015.69 g/mol. Its IUPAC name is 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane.

Molecular Properties

Compound Name2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane
PubChem CID157074805
Molecular FormulaC61H110N2O5S2
Molecular Weight1015.69 g/mol
Exact Mass1014.79
IUPAC Name2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane
SMILESC.C.C.C.C.C.C.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccno1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1
InChIInChI=1S/3C8H12O.2C8H12S.2C7H11NO.7CH4/c2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;;;;;;;/h5*4-6H,1-3H3;2*4-5H,1-3H3;7*1H4
InChIKeyACVRJHSPHPBEAZ-UHFFFAOYSA-N
XLogP22.22
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.69
LogP ≤ 522.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane with MolForge

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Related Compounds

2-Methyl-3-propan-2-ylfuran;2-methyl-5-propan-2-ylfuran;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;2-propan-2-yl-5-(trifluoromethyl)furan
CID 159842730
2-Methyl-3-propan-2-ylfuran;3-methyl-2-propan-2-ylfuran;3-methyl-4-propan-2-ylfuran;3-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-yl-1,2-oxazol-2-ium;2-methyl-3-propan-2-ylthiophene;3-methyl-2-propan-2-ylthiophene;3-methyl-4-propan-2-ylthiophene
CID 157091894
2,3-Ditert-butylfuran;4,5-ditert-butyl-1-methylpyrazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-thiazole;2,3-ditert-butylthiophene
CID 157639948
Bis(2,4-dimethylfuran);2,5-dimethylfuran;2,3-dimethylthiophene;bis(2,4-dimethylthiophene);2,5-dimethylthiophene;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;2-methylthiophene;3-methylthiophene
CID 157787712
2-Propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158038521
tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);bis(2-tert-butylfuran);3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;2-tert-butylpyridine;5-tert-butyl-3H-pyrrole;2-tert-butylthiophene
CID 158273706
Ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene
CID 158324267
Bis(2,3-dimethylfuran);bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole)
CID 158598082
3-tert-butyl-2-methylfuran;3-tert-butyl-4-methyl-1,2-oxazole;5-tert-butyl-4-methyl-1H-pyrazole;bis(4-tert-butyl-5-methyl-3H-pyrrole);3-tert-butyl-2-methylthiophene
CID 158631616
Bis(2,3-dimethylfuran);bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole);1,2-xylene
CID 159425118
ethane;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;3-propan-2-ylthiophene
CID 159760041
Ethane;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrrole;5-propan-2-yl-1,2-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 159855322

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane?
The IUPAC name of 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane (CID 157074805) is 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane.
What is the SMILES notation for 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane?
The canonical SMILES for 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane is C.C.C.C.C.C.C.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccno1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.
What is the InChIKey of 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane?
The InChIKey is ACVRJHSPHPBEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H12O.2C8H12S.2C7H11NO.7CH4/c2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-5-8-9-6;;;;;;;/h5*4-6H,1-3H3;2*4-5H,1-3H3;7*1H4.
What are the key properties of 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane?
2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane has a molecular weight of 1015.69 g/mol, XLogP of 22.22, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylfuran;bis(3-tert-butylfuran);3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene;methane is sourced from PubChem (CID 157074805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).