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

C70H124N4O4S4 — CID 161073598

IUPACbis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cnoc1C.Cc1cnoc1C.Cc1cnsc1C.Cc1cnsc1C
InChIInChI=1S/C8H10.2C6H8O.2C6H8S.2C5H7NO.2C5H7NS.9C2H6/c1-7-5-3-4-6-8(7)2;4*1-5-3-4-7-6(5)2;4*1-4-3-6-7-5(4)2;9*1-2/h3-6H,1-2H3;4*3-4H,1-2H3;4*3H,1-2H3;9*1-2H3
InChIKeyUEYZEYRWXNBZEP-UHFFFAOYSA-N
MW1214.05 g/mol
LogP26.16
Rot. Bonds

About bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);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);bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene (PubChem CID 161073598) has the molecular formula C70H124N4O4S4 and a molecular weight of 1214.05 g/mol. Its IUPAC name is bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);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);bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene
PubChem CID161073598
Molecular FormulaC70H124N4O4S4
Molecular Weight1214.05 g/mol
Exact Mass1212.85
IUPAC Namebis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cnoc1C.Cc1cnoc1C.Cc1cnsc1C.Cc1cnsc1C
InChIInChI=1S/C8H10.2C6H8O.2C6H8S.2C5H7NO.2C5H7NS.9C2H6/c1-7-5-3-4-6-8(7)2;4*1-5-3-4-7-6(5)2;4*1-4-3-6-7-5(4)2;9*1-2/h3-6H,1-2H3;4*3-4H,1-2H3;4*3H,1-2H3;9*1-2H3
InChIKeyUEYZEYRWXNBZEP-UHFFFAOYSA-N
XLogP26.16
TPSA104.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001214.05
LogP ≤ 526.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Launch Full Analysis

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-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
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
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
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-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
CID 160689828
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
2-Tert-butylfuran;3-tert-butylfuran;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 161968477

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);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);bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene (CID 161073598) is bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);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);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);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.Cc1ccccc1C.Cc1ccoc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1ccsc1C.Cc1cnoc1C.Cc1cnoc1C.Cc1cnsc1C.Cc1cnsc1C.
What is the InChIKey of bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene?
The InChIKey is UEYZEYRWXNBZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C6H8O.2C6H8S.2C5H7NO.2C5H7NS.9C2H6/c1-7-5-3-4-6-8(7)2;4*1-5-3-4-7-6(5)2;4*1-4-3-6-7-5(4)2;9*1-2/h3-6H,1-2H3;4*3-4H,1-2H3;4*3H,1-2H3;9*1-2H3.
What are the key properties of bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);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);bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene has a molecular weight of 1214.05 g/mol, XLogP of 26.16, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylfuran);bis(4,5-dimethyl-1,2-oxazole);bis(4,5-dimethyl-1,2-thiazole);bis(2,3-dimethylthiophene);ethane;1,2-xylene is sourced from PubChem (CID 161073598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).