2-(3,5-dimethylcyclohexyl)-5-methylthiophene

C13H20S — CID 140576019

IUPAC2-(3,5-dimethylcyclohexyl)-5-methylthiophene
SMILESCc1ccc(C2CC(C)CC(C)C2)s1
InChIInChI=1S/C13H20S/c1-9-6-10(2)8-12(7-9)13-5-4-11(3)14-13/h4-5,9-10,12H,6-8H2,1-3H3
InChIKeySLMBHFWJPRFFKX-UHFFFAOYSA-N
MW208.37 g/mol
LogP4.60
Rot. Bonds1

About 2-(3,5-dimethylcyclohexyl)-5-methylthiophene

2-(3,5-dimethylcyclohexyl)-5-methylthiophene (PubChem CID 140576019) has the molecular formula C13H20S and a molecular weight of 208.37 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)-5-methylthiophene.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)-5-methylthiophene
PubChem CID140576019
Molecular FormulaC13H20S
Molecular Weight208.37 g/mol
Exact Mass208.13
IUPAC Name2-(3,5-dimethylcyclohexyl)-5-methylthiophene
SMILESCc1ccc(C2CC(C)CC(C)C2)s1
InChIInChI=1S/C13H20S/c1-9-6-10(2)8-12(7-9)13-5-4-11(3)14-13/h4-5,9-10,12H,6-8H2,1-3H3
InChIKeySLMBHFWJPRFFKX-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3R,4S)-3,4-dimethylcyclopentyl]-5-methylthiophene
CID 118423631
3-(5-methylthiophen-2-yl)azetidine
CID 130160315
4-(5-methylthiophen-2-yl)azepane
CID 83260945
4-methyl-2-(5-methylthiophen-2-yl)cyclohexane-1-carboxylic acid
CID 81020785
2-(5-methylthiophen-2-yl)-1,3-dioxolane
CID 55255317
5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane
CID 66227054
5-(5-methylthiophen-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-b]pyridine
CID 70916934
2-methyl-5-(2-methylphospholan-3-yl)thiophene
CID 170000976
[(3,5-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105312147
5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazinane;hydrochloride
CID 117226712
carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one
CID 160524844
3-(3-methylcyclopentyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 114552339

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)-5-methylthiophene?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)-5-methylthiophene (CID 140576019) is 2-(3,5-dimethylcyclohexyl)-5-methylthiophene.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)-5-methylthiophene?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)-5-methylthiophene is Cc1ccc(C2CC(C)CC(C)C2)s1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)-5-methylthiophene?
The InChIKey is SLMBHFWJPRFFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20S/c1-9-6-10(2)8-12(7-9)13-5-4-11(3)14-13/h4-5,9-10,12H,6-8H2,1-3H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)-5-methylthiophene?
2-(3,5-dimethylcyclohexyl)-5-methylthiophene has a molecular weight of 208.37 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)-5-methylthiophene is sourced from PubChem (CID 140576019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).