bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene

C79H139N5O4S4 — CID 161149358

IUPACbis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1C.Cc1ccncc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cnoc1C.Cc1cnoc1C.Cc1cnsc1C.Cc1cnsc1C
InChIInChI=1S/C8H10.C7H9N.2C6H8O.2C6H8S.2C5H7NO.2C5H7NS.10C2H6/c1-7-5-3-4-6-8(7)2;1-6-3-4-8-5-7(6)2;4*1-5-3-4-7-6(5)2;4*1-4-3-6-7-5(4)2;10*1-2/h3-6H,1-2H3;3-5H,1-2H3;4*3-4H,1-2H3;4*3H,1-2H3;10*1-2H3
InChIKeyUOLSMRGRITUPAQ-UHFFFAOYSA-N
MW1351.28 g/mol
LogP28.89
Rot. Bonds

About bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene

bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene (PubChem CID 161149358) has the molecular formula C79H139N5O4S4 and a molecular weight of 1351.28 g/mol. Its IUPAC name is bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene.

Molecular Properties

Compound Namebis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene
PubChem CID161149358
Molecular FormulaC79H139N5O4S4
Molecular Weight1351.28 g/mol
Exact Mass1349.97
IUPAC Namebis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1C.Cc1ccncc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cnoc1C.Cc1cnoc1C.Cc1cnsc1C.Cc1cnsc1C
InChIInChI=1S/C8H10.C7H9N.2C6H8O.2C6H8S.2C5H7NO.2C5H7NS.10C2H6/c1-7-5-3-4-6-8(7)2;1-6-3-4-8-5-7(6)2;4*1-5-3-4-7-6(5)2;4*1-4-3-6-7-5(4)2;10*1-2/h3-6H,1-2H3;3-5H,1-2H3;4*3-4H,1-2H3;4*3H,1-2H3;10*1-2H3
InChIKeyUOLSMRGRITUPAQ-UHFFFAOYSA-N
XLogP28.89
TPSA117.01 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001351.28
LogP ≤ 528.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene with MolForge

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Related Compounds

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-Tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene
CID 157217434
1,2-Dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene)
CID 157465996
ethane;methylcyclohexane;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;3-methylpyridine;5-methyl-3H-pyrrole;2-methylthiophene;3-methylthiophene;toluene
CID 157516756
Ethane;methane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157576652
2,4-Dimethylthiophene;2,5-dimethylthiophene;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-4-phenylthiophene;2-methyl-5-phenylthiophene;1-methylpyrrole
CID 157702497
2,2-Dimethylhexan-3-ylbenzene;1-(2,2-dimethylhexan-3-yl)cyclopenta-1,3-diene;2-(2,2-dimethylhexan-3-yl)cyclopenta-1,3-diene;2-(2,2-dimethylhexan-3-yl)furan;3-(2,2-dimethylhexan-3-yl)furan;3-(2,2-dimethylhexan-3-yl)-1,2-oxazole;4-(2,2-dimethylhexan-3-yl)-1,2-oxazole;4-(2,2-dimethylhexan-3-yl)-1,3-oxazole;5-(2,2-dimethylhexan-3-yl)-1,2-oxazole;2-(2,2-dimethylhexan-3-yl)pyridine;2-(2,2-dimethylhexan-3-yl)thiophene;3-(2,2-dimethylhexan-3-yl)thiophene
CID 157926806
4,5-Dihydro-1,2-oxazole;ethane;3-methyl-4,5-dihydro-1,2-oxazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;2-methyloxolane;3-methyloxolane;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylthiophene;1,2-oxazole;thiophene
CID 157998331
Bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene
CID 158191566
Bis(2,3-dimethylfuran);3,4-dimethylpyridine;bis(2,3-dimethylthiophene);ethane;bis(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole)
CID 158237445
Bis(2,3-dimethylfuran);3,4-dimethylpyridine;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 158260150
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

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene?
The IUPAC name of bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene (CID 161149358) is bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene.
What is the SMILES notation for bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene?
The canonical SMILES for bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1C.Cc1ccncc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cnoc1C.Cc1cnoc1C.Cc1cnsc1C.Cc1cnsc1C.
What is the InChIKey of bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene?
The InChIKey is UOLSMRGRITUPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H9N.2C6H8O.2C6H8S.2C5H7NO.2C5H7NS.10C2H6/c1-7-5-3-4-6-8(7)2;1-6-3-4-8-5-7(6)2;4*1-5-3-4-7-6(5)2;4*1-4-3-6-7-5(4)2;10*1-2/h3-6H,1-2H3;3-5H,1-2H3;4*3-4H,1-2H3;4*3H,1-2H3;10*1-2H3.
What are the key properties of bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene?
bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene has a molecular weight of 1351.28 g/mol, XLogP of 28.89, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);3,4-dimethylpyridine;bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene is sourced from PubChem (CID 161149358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).