1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane

C68H129N5O4S — CID 158730183

IUPAC1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=CC=CC1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1cnco1.CC(C)(C)c1cocn1
InChIInChI=1S/C9H14.C8H12O.C8H12S.C7H12N2.3C7H11NO.7C2H6.CH4/c1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-5-9-8-6;7*1-2;/h4-6H,7H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;7*1-2H3;1H4
InChIKeyIKZMDTAXKROGIQ-UHFFFAOYSA-N
MW1112.88 g/mol
LogP23.98
Rot. Bonds

About 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane

1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane (PubChem CID 158730183) has the molecular formula C68H129N5O4S and a molecular weight of 1112.88 g/mol. Its IUPAC name is 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane.

Molecular Properties

Compound Name1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane
PubChem CID158730183
Molecular FormulaC68H129N5O4S
Molecular Weight1112.88 g/mol
Exact Mass1111.98
IUPAC Name1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=CC=CC1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1cnco1.CC(C)(C)c1cocn1
InChIInChI=1S/C9H14.C8H12O.C8H12S.C7H12N2.3C7H11NO.7C2H6.CH4/c1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-5-9-8-6;7*1-2;/h4-6H,7H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;7*1-2H3;1H4
InChIKeyIKZMDTAXKROGIQ-UHFFFAOYSA-N
XLogP23.98
TPSA119.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001112.88
LogP ≤ 523.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-(1,1-difluoroethoxy)-2-methylpropane;1-(difluoromethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;1,1-difluoro-2-methylpropane;bis(2,3-dimethylbutane);2,3-dimethylbutan-2-ol;(3S)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;2-fluoro-3-methylbutane;2-fluoro-4-methylpentane;(3R)-2-methylpentan-3-ol;2-methylpropan-1-ol;3-methyl-2-propan-2-ylfuran;2-methyl-4-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;2-propan-2-ylfuran;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;2-propan-2-ylthiophene
CID 157198640
3-tert-butyl-1,5-dimethylpyrazole;2-tert-butyl-3-methylfuran;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylthiophene;2,2-difluoro-3,3-dimethylbutane;2,2-difluoro-4,4-dimethylpentane;1-(1,1-difluoroethoxy)-2,2-dimethylpropane;2,2-dimethylbutane;bis(3-fluoro-2,2-dimethylbutane);(3R)-3-fluoro-2,2-dimethylbutane;(3S)-3-fluoro-2,2-dimethylbutane;4-fluoro-2,2-dimethylpentane;1-(1-fluoroethoxy)-2,2-dimethylpropane;methane;2,2,3,3-tetramethylbutane;bis(2,2,3-trimethylbutane);(3R)-2,2,3-trimethylpentane;(3S)-2,2,3-trimethylpentane
CID 161251363
1-(1,1-difluoroethoxy)-2-methylpropane;2,2-difluoro-3-methylbutane;2,2-difluoro-4-methylpentane;bis(2,3-dimethylbutane);(3R)-2,3-dimethylpentane;(3S)-2,3-dimethylpentane;1,5-dimethyl-3-propan-2-ylpyrazole;1-(1-fluoroethoxy)-2-methylpropane;(2S)-2-fluoro-3-methylbutane;(2R)-2-fluoro-3-methylbutane;bis(2-fluoro-3-methylbutane);2-fluoro-4-methylpentane;methane;2-methylbutane;3-methyl-2-propan-2-ylfuran;2-methyl-4-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole;2,2,3-trimethylbutane
CID 161743812
5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-2-ethenyl-3H-pyrrole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 157096219
2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157102632
3-tert-butyl-1-ethenylcyclopenta-1,3-diene;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-3-methyl-1,2-thiazole
CID 157169156
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157362507
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylthiophene;3-tert-butylthiophene;ethane
CID 157403668
2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157460024
4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-2-ethenyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 157475108
4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole
CID 157641619
4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 157684066

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane?
The IUPAC name of 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane (CID 158730183) is 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane.
What is the SMILES notation for 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane?
The canonical SMILES for 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane is C.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=CC=CC1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccon1.CC(C)(C)c1ccsc1.CC(C)(C)c1cnco1.CC(C)(C)c1cocn1.
What is the InChIKey of 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane?
The InChIKey is IKZMDTAXKROGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.C8H12O.C8H12S.C7H12N2.3C7H11NO.7C2H6.CH4/c1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-5-9-8-6;7*1-2;/h4-6H,7H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;7*1-2H3;1H4.
What are the key properties of 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane?
1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane has a molecular weight of 1112.88 g/mol, XLogP of 23.98, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclopenta-1,3-diene;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;5-tert-butyl-1H-pyrazole;3-tert-butylthiophene;ethane;methane is sourced from PubChem (CID 158730183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).