3-(2,3-dimethylbutan-2-yl)-2-ethylthiophene

C12H20S — CID 69249150

IUPAC3-(2,3-dimethylbutan-2-yl)-2-ethylthiophene
SMILESCCc1sccc1C(C)(C)C(C)C
InChIInChI=1S/C12H20S/c1-6-11-10(7-8-13-11)12(4,5)9(2)3/h7-9H,6H2,1-5H3
InChIKeyVFDNMLBJKGCNCX-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.24
Rot. Bonds3

About 3-(2,3-dimethylbutan-2-yl)-2-ethylthiophene

3-(2,3-dimethylbutan-2-yl)-2-ethylthiophene (PubChem CID 69249150) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 3-(2,3-dimethylbutan-2-yl)-2-ethylthiophene.

Molecular Properties

Compound Name3-(2,3-dimethylbutan-2-yl)-2-ethylthiophene
PubChem CID69249150
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name3-(2,3-dimethylbutan-2-yl)-2-ethylthiophene
SMILESCCc1sccc1C(C)(C)C(C)C
InChIInChI=1S/C12H20S/c1-6-11-10(7-8-13-11)12(4,5)9(2)3/h7-9H,6H2,1-5H3
InChIKeyVFDNMLBJKGCNCX-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorothiophen-2-yl)-3,4,4-trimethylpentan-1-one
CID 80529884
2-(2-ethylthiophen-3-yl)propane-1,3-diamine
CID 70508164
(2S)-1-(3-ethylthiophen-2-yl)propan-2-amine
CID 96850699
2-ethyl-3-ethynylthiophene
CID 139951476
3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 62528495
5-ethyl-6-propan-2-ylthieno[3,2-b]thiophene
CID 131965894
2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566956
2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pentan-3-amine;hydrochloride
CID 115616073
3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294
N-(2-ethylthiophen-3-yl)ethanimine
CID 138720721
2-ethyl-3-propoxythiophene
CID 138534180
2-(2-chlorothiophen-3-yl)butan-2-amine
CID 131092060

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutan-2-yl)-2-ethylthiophene?
The IUPAC name of 3-(2,3-dimethylbutan-2-yl)-2-ethylthiophene (CID 69249150) is 3-(2,3-dimethylbutan-2-yl)-2-ethylthiophene.
What is the SMILES notation for 3-(2,3-dimethylbutan-2-yl)-2-ethylthiophene?
The canonical SMILES for 3-(2,3-dimethylbutan-2-yl)-2-ethylthiophene is CCc1sccc1C(C)(C)C(C)C.
What is the InChIKey of 3-(2,3-dimethylbutan-2-yl)-2-ethylthiophene?
The InChIKey is VFDNMLBJKGCNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-6-11-10(7-8-13-11)12(4,5)9(2)3/h7-9H,6H2,1-5H3.
What are the key properties of 3-(2,3-dimethylbutan-2-yl)-2-ethylthiophene?
3-(2,3-dimethylbutan-2-yl)-2-ethylthiophene has a molecular weight of 196.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutan-2-yl)-2-ethylthiophene is sourced from PubChem (CID 69249150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).