3-(3,3,5-trimethylcyclohexyl)thiophene

C13H20S — CID 150862105

IUPAC3-(3,3,5-trimethylcyclohexyl)thiophene
SMILESCC1CC(c2ccsc2)CC(C)(C)C1
InChIInChI=1S/C13H20S/c1-10-6-12(8-13(2,3)7-10)11-4-5-14-9-11/h4-5,9-10,12H,6-8H2,1-3H3
InChIKeyKSGDZMWLGSXPPM-UHFFFAOYSA-N
MW208.37 g/mol
LogP4.68
Rot. Bonds1

About 3-(3,3,5-trimethylcyclohexyl)thiophene

3-(3,3,5-trimethylcyclohexyl)thiophene (PubChem CID 150862105) has the molecular formula C13H20S and a molecular weight of 208.37 g/mol. Its IUPAC name is 3-(3,3,5-trimethylcyclohexyl)thiophene.

Molecular Properties

Compound Name3-(3,3,5-trimethylcyclohexyl)thiophene
PubChem CID150862105
Molecular FormulaC13H20S
Molecular Weight208.37 g/mol
Exact Mass208.13
IUPAC Name3-(3,3,5-trimethylcyclohexyl)thiophene
SMILESCC1CC(c2ccsc2)CC(C)(C)C1
InChIInChI=1S/C13H20S/c1-10-6-12(8-13(2,3)7-10)11-4-5-14-9-11/h4-5,9-10,12H,6-8H2,1-3H3
InChIKeyKSGDZMWLGSXPPM-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene
CID 142418474
3-(3-bromocyclopentyl)thiophene
CID 65102125
N-methyl-3-thiophen-3-ylcycloheptan-1-amine
CID 65105117
1,1,3-trimethylcyclobutane
CID 12656861
2-hydroxy-3-(3,3,5-trimethylcyclohexyl)benzoic acid
CID 66602392
3-[[1-(bromomethyl)-3-methylcyclobutyl]methyl]thiophene
CID 164652404
2,4-dimethyl-3-thiophen-3-ylcyclobutan-1-one
CID 131182395
4-[(1S,5S)-3,3,5-trimethylcyclohexyl]-3-[(1R,5R)-3,3,5-trimethylcyclohexyl]phthalic acid
CID 90952057
(3-ethyl-3,5-dimethylcyclohexyl)benzene
CID 20692192
3-bromo-2-[(3,3,5-trimethylcyclohexyl)oxymethyl]thiophene
CID 63458381
3-thiophen-3-ylpyrrolidine;hydrochloride
CID 169498224
CID 58818162
CID 58818162

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,5-trimethylcyclohexyl)thiophene?
The IUPAC name of 3-(3,3,5-trimethylcyclohexyl)thiophene (CID 150862105) is 3-(3,3,5-trimethylcyclohexyl)thiophene.
What is the SMILES notation for 3-(3,3,5-trimethylcyclohexyl)thiophene?
The canonical SMILES for 3-(3,3,5-trimethylcyclohexyl)thiophene is CC1CC(c2ccsc2)CC(C)(C)C1.
What is the InChIKey of 3-(3,3,5-trimethylcyclohexyl)thiophene?
The InChIKey is KSGDZMWLGSXPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20S/c1-10-6-12(8-13(2,3)7-10)11-4-5-14-9-11/h4-5,9-10,12H,6-8H2,1-3H3.
What are the key properties of 3-(3,3,5-trimethylcyclohexyl)thiophene?
3-(3,3,5-trimethylcyclohexyl)thiophene has a molecular weight of 208.37 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,5-trimethylcyclohexyl)thiophene is sourced from PubChem (CID 150862105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).