2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene

C28H40O2S2 — CID 159099948

IUPAC2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene
SMILESCc1ccoc1C.Cc1ccsc1C.Cc1occc1C(C)C.Cc1sccc1C(C)C
InChIInChI=1S/C8H12O.C8H12S.C6H8O.C6H8S/c2*1-6(2)8-4-5-9-7(8)3;2*1-5-3-4-7-6(5)2/h2*4-6H,1-3H3;2*3-4H,1-2H3
InChIKeyKDDPPOYASZFLJZ-UHFFFAOYSA-N
MW472.76 g/mol
LogP10.15
Rot. Bonds2

About 2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene

2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene (PubChem CID 159099948) has the molecular formula C28H40O2S2 and a molecular weight of 472.76 g/mol. Its IUPAC name is 2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene.

Molecular Properties

Compound Name2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene
PubChem CID159099948
Molecular FormulaC28H40O2S2
Molecular Weight472.76 g/mol
Exact Mass472.25
IUPAC Name2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene
SMILESCc1ccoc1C.Cc1ccsc1C.Cc1occc1C(C)C.Cc1sccc1C(C)C
InChIInChI=1S/C8H12O.C8H12S.C6H8O.C6H8S/c2*1-6(2)8-4-5-9-7(8)3;2*1-5-3-4-7-6(5)2/h2*4-6H,1-3H3;2*3-4H,1-2H3
InChIKeyKDDPPOYASZFLJZ-UHFFFAOYSA-N
XLogP10.15
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.76
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene with MolForge

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Related Compounds

[(2-methylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843049
(3-methylfuran-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102829434
2,3-dimethylthiophene;ethane
CID 54075062
(1R)-1-(2-methylthiophen-3-yl)ethanamine
CID 46839608
[(2-methylfuran-3-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105269085
2,3-dimethylfuran;propane
CID 145343494
N-methyl-1-(2-methylthiophen-3-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 102841226
N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789901
N-methyl-1-(2-methylfuran-3-yl)-1-thiophen-2-ylmethanamine
CID 43483393
N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102831917
carbanide;2,3-dimethylthiophene;2,3,4,5-tetramethylthiophene;tris(yttrium)
CID 165102969
3-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2-methylfuran
CID 63431355

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene?
The IUPAC name of 2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene (CID 159099948) is 2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene.
What is the SMILES notation for 2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene?
The canonical SMILES for 2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene is Cc1ccoc1C.Cc1ccsc1C.Cc1occc1C(C)C.Cc1sccc1C(C)C.
What is the InChIKey of 2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene?
The InChIKey is KDDPPOYASZFLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C8H12S.C6H8O.C6H8S/c2*1-6(2)8-4-5-9-7(8)3;2*1-5-3-4-7-6(5)2/h2*4-6H,1-3H3;2*3-4H,1-2H3.
What are the key properties of 2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene?
2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene has a molecular weight of 472.76 g/mol, XLogP of 10.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylfuran;2,3-dimethylthiophene;2-methyl-3-propan-2-ylfuran;2-methyl-3-propan-2-ylthiophene is sourced from PubChem (CID 159099948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).