5-tert-butyl-2,3-dimethylthiophene

C10H16S — CID 59772802

IUPAC5-tert-butyl-2,3-dimethylthiophene
SMILESCc1cc(C(C)(C)C)sc1C
InChIInChI=1S/C10H16S/c1-7-6-9(10(3,4)5)11-8(7)2/h6H,1-5H3
InChIKeyMAWYXZOXKXVSAK-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.66
Rot. Bonds

About 5-tert-butyl-2,3-dimethylthiophene

5-tert-butyl-2,3-dimethylthiophene (PubChem CID 59772802) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dimethylthiophene.

Molecular Properties

Compound Name5-tert-butyl-2,3-dimethylthiophene
PubChem CID59772802
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name5-tert-butyl-2,3-dimethylthiophene
SMILESCc1cc(C(C)(C)C)sc1C
InChIInChI=1S/C10H16S/c1-7-6-9(10(3,4)5)11-8(7)2/h6H,1-5H3
InChIKeyMAWYXZOXKXVSAK-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-3-chloro-2-methylthiophene
CID 118581553
2-bromo-5-tert-butyl-3-methylthiophene
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CID 130731401
2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol
CID 55273337
2-tert-butyl-4-methyl-1-benzothiophene
CID 20747379
4,10-ditert-butyl-7-oxa-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 134451270
2-tert-butyl-6-(2,6-dimethylphenyl)thiopyran-4-one
CID 11747710
5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene
CID 168735016
2-[(4,5-dimethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 79792186
2,5-bis(2-iodopropan-2-yl)-3-methylthiophene
CID 146366673
5-tert-butyl-2-chloro-3-[2-(3-methylphenyl)ethynyl]thiophene
CID 153398149
5-tert-butyl-2,3-dimethoxythiophene
CID 146379266

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dimethylthiophene?
The IUPAC name of 5-tert-butyl-2,3-dimethylthiophene (CID 59772802) is 5-tert-butyl-2,3-dimethylthiophene.
What is the SMILES notation for 5-tert-butyl-2,3-dimethylthiophene?
The canonical SMILES for 5-tert-butyl-2,3-dimethylthiophene is Cc1cc(C(C)(C)C)sc1C.
What is the InChIKey of 5-tert-butyl-2,3-dimethylthiophene?
The InChIKey is MAWYXZOXKXVSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-7-6-9(10(3,4)5)11-8(7)2/h6H,1-5H3.
What are the key properties of 5-tert-butyl-2,3-dimethylthiophene?
5-tert-butyl-2,3-dimethylthiophene has a molecular weight of 168.30 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dimethylthiophene is sourced from PubChem (CID 59772802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).