2-(2,3,3,4-tetramethylpentan-2-yl)thiophene

C13H22S — CID 126728897

IUPAC2-(2,3,3,4-tetramethylpentan-2-yl)thiophene
SMILESCC(C)C(C)(C)C(C)(C)c1cccs1
InChIInChI=1S/C13H22S/c1-10(2)12(3,4)13(5,6)11-8-7-9-14-11/h7-10H,1-6H3
InChIKeyJTLAIHYSBALKJQ-UHFFFAOYSA-N
MW210.39 g/mol
LogP4.71
Rot. Bonds3

About 2-(2,3,3,4-tetramethylpentan-2-yl)thiophene

2-(2,3,3,4-tetramethylpentan-2-yl)thiophene (PubChem CID 126728897) has the molecular formula C13H22S and a molecular weight of 210.39 g/mol. Its IUPAC name is 2-(2,3,3,4-tetramethylpentan-2-yl)thiophene.

Molecular Properties

Compound Name2-(2,3,3,4-tetramethylpentan-2-yl)thiophene
PubChem CID126728897
Molecular FormulaC13H22S
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name2-(2,3,3,4-tetramethylpentan-2-yl)thiophene
SMILESCC(C)C(C)(C)C(C)(C)c1cccs1
InChIInChI=1S/C13H22S/c1-10(2)12(3,4)13(5,6)11-8-7-9-14-11/h7-10H,1-6H3
InChIKeyJTLAIHYSBALKJQ-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 58481755
(1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol
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N-propan-2-yl-2-thiophen-2-ylpropan-2-amine
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2-(2-bromopropan-2-yl)thiophene
CID 174915633
2-(1,1-dichloroethyl)thiophene
CID 12555703
2-tert-butylthiophene;methanamine
CID 143976463
methyl 3-hydroxy-2-methyl-3-thiophen-2-ylbutanoate
CID 72784913
2-tert-butylthiophene;oxaldehyde
CID 175171370
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
2-(1-chloro-2-methylpropan-2-yl)thiophene
CID 154107468
2-(1-bromo-2-methylpropan-2-yl)thiophene
CID 83690309
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3,4-tetramethylpentan-2-yl)thiophene?
The IUPAC name of 2-(2,3,3,4-tetramethylpentan-2-yl)thiophene (CID 126728897) is 2-(2,3,3,4-tetramethylpentan-2-yl)thiophene.
What is the SMILES notation for 2-(2,3,3,4-tetramethylpentan-2-yl)thiophene?
The canonical SMILES for 2-(2,3,3,4-tetramethylpentan-2-yl)thiophene is CC(C)C(C)(C)C(C)(C)c1cccs1.
What is the InChIKey of 2-(2,3,3,4-tetramethylpentan-2-yl)thiophene?
The InChIKey is JTLAIHYSBALKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22S/c1-10(2)12(3,4)13(5,6)11-8-7-9-14-11/h7-10H,1-6H3.
What are the key properties of 2-(2,3,3,4-tetramethylpentan-2-yl)thiophene?
2-(2,3,3,4-tetramethylpentan-2-yl)thiophene has a molecular weight of 210.39 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3,4-tetramethylpentan-2-yl)thiophene is sourced from PubChem (CID 126728897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).