3-methyl-2-pentan-2-ylthiophene

C10H16S — CID 59774172

IUPAC3-methyl-2-pentan-2-ylthiophene
SMILESCCCC(C)c1sccc1C
InChIInChI=1S/C10H16S/c1-4-5-8(2)10-9(3)6-7-11-10/h6-8H,4-5H2,1-3H3
InChIKeyOEMYNQCWFPAYFK-UHFFFAOYSA-N
MW168.31 g/mol
LogP3.96
Rot. Bonds3

About 3-methyl-2-pentan-2-ylthiophene

3-methyl-2-pentan-2-ylthiophene (PubChem CID 59774172) has the molecular formula C10H16S and a molecular weight of 168.31 g/mol. Its IUPAC name is 3-methyl-2-pentan-2-ylthiophene.

Molecular Properties

Compound Name3-methyl-2-pentan-2-ylthiophene
PubChem CID59774172
Molecular FormulaC10H16S
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name3-methyl-2-pentan-2-ylthiophene
SMILESCCCC(C)c1sccc1C
InChIInChI=1S/C10H16S/c1-4-5-8(2)10-9(3)6-7-11-10/h6-8H,4-5H2,1-3H3
InChIKeyOEMYNQCWFPAYFK-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-(4-methylpentan-2-yl)thiophene
CID 58489062
N-methyl-1-(3-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 82984360
(1R)-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 55276293
1-(3-methylthiophen-2-yl)hexan-1-amine;hydrochloride
CID 86262849
1-(3-methylthiophen-2-yl)tridecan-1-ol
CID 65148369
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
N-methyl-1-(3-methylthiophen-2-yl)octan-1-amine
CID 63502985
2-[(4-butan-2-ylphenyl)-chloromethyl]-3-methylthiophene
CID 63429995
1-(3-methylthiophen-2-yl)pentylhydrazine
CID 105245717
N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448392
N-[1-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 63992990
(1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222735

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pentan-2-ylthiophene?
The IUPAC name of 3-methyl-2-pentan-2-ylthiophene (CID 59774172) is 3-methyl-2-pentan-2-ylthiophene.
What is the SMILES notation for 3-methyl-2-pentan-2-ylthiophene?
The canonical SMILES for 3-methyl-2-pentan-2-ylthiophene is CCCC(C)c1sccc1C.
What is the InChIKey of 3-methyl-2-pentan-2-ylthiophene?
The InChIKey is OEMYNQCWFPAYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-4-5-8(2)10-9(3)6-7-11-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-methyl-2-pentan-2-ylthiophene?
3-methyl-2-pentan-2-ylthiophene has a molecular weight of 168.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pentan-2-ylthiophene is sourced from PubChem (CID 59774172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).