2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene

C43H64N2O2S — CID 160783773

IUPAC2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.Cc1ccc(C(C)(C)C)o1
InChIInChI=1S/2C9H13N.C9H14O.C8H12O.C8H12S/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-8(10-7)9(2,3)4;2*1-8(2,3)7-5-4-6-9-7/h2*4-7H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3
InChIKeySAXWPHMBDLFDKG-UHFFFAOYSA-N
MW673.06 g/mol
LogP13.27
Rot. Bonds

About 2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene

2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene (PubChem CID 160783773) has the molecular formula C43H64N2O2S and a molecular weight of 673.06 g/mol. Its IUPAC name is 2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene.

Molecular Properties

Compound Name2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene
PubChem CID160783773
Molecular FormulaC43H64N2O2S
Molecular Weight673.06 g/mol
Exact Mass672.47
IUPAC Name2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.Cc1ccc(C(C)(C)C)o1
InChIInChI=1S/2C9H13N.C9H14O.C8H12O.C8H12S/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-8(10-7)9(2,3)4;2*1-8(2,3)7-5-4-6-9-7/h2*4-7H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3
InChIKeySAXWPHMBDLFDKG-UHFFFAOYSA-N
XLogP13.27
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.06
LogP ≤ 513.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene with MolForge

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Related Compounds

2-(5-Chlorothiophen-2-yl)-4-(furan-3-yl)-6-pyridin-3-ylpyridine
CID 46229631
4-Furan-2-yl-2-((E)-2-furan-2-yl-vinyl)-6-thiophen-2-yl-pyridine
CID 10064551
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
4-(5-Chlorofuran-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 46229231
4-(5-Chlorofuran-2-yl)-2-(3-methylthiophen-2-yl)-6-pyridin-3-ylpyridine
CID 46229649
4-(Furan-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine
CID 16654946
4-(Furan-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-2-ylpyridine
CID 46224809

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene?
The IUPAC name of 2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene (CID 160783773) is 2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene.
What is the SMILES notation for 2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene?
The canonical SMILES for 2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene is CC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.Cc1ccc(C(C)(C)C)o1.
What is the InChIKey of 2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene?
The InChIKey is SAXWPHMBDLFDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13N.C9H14O.C8H12O.C8H12S/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-8(10-7)9(2,3)4;2*1-8(2,3)7-5-4-6-9-7/h2*4-7H,1-3H3;5-6H,1-4H3;2*4-6H,1-3H3.
What are the key properties of 2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene?
2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene has a molecular weight of 673.06 g/mol, XLogP of 13.27, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylfuran;2-tert-butyl-5-methylfuran;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene is sourced from PubChem (CID 160783773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).