2-[(4,4-dimethylcyclohexyl)methyl]thiophene

C13H20S — CID 141443372

IUPAC2-[(4,4-dimethylcyclohexyl)methyl]thiophene
SMILESCC1(C)CCC(Cc2cccs2)CC1
InChIInChI=1S/C13H20S/c1-13(2)7-5-11(6-8-13)10-12-4-3-9-14-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyKWOPRDISLYMKGE-UHFFFAOYSA-N
MW208.37 g/mol
LogP4.51
Rot. Bonds2

About 2-[(4,4-dimethylcyclohexyl)methyl]thiophene

2-[(4,4-dimethylcyclohexyl)methyl]thiophene (PubChem CID 141443372) has the molecular formula C13H20S and a molecular weight of 208.37 g/mol. Its IUPAC name is 2-[(4,4-dimethylcyclohexyl)methyl]thiophene.

Molecular Properties

Compound Name2-[(4,4-dimethylcyclohexyl)methyl]thiophene
PubChem CID141443372
Molecular FormulaC13H20S
Molecular Weight208.37 g/mol
Exact Mass208.13
IUPAC Name2-[(4,4-dimethylcyclohexyl)methyl]thiophene
SMILESCC1(C)CCC(Cc2cccs2)CC1
InChIInChI=1S/C13H20S/c1-13(2)7-5-11(6-8-13)10-12-4-3-9-14-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyKWOPRDISLYMKGE-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylcyclohexyl)methyl]thiophene?
The IUPAC name of 2-[(4,4-dimethylcyclohexyl)methyl]thiophene (CID 141443372) is 2-[(4,4-dimethylcyclohexyl)methyl]thiophene.
What is the SMILES notation for 2-[(4,4-dimethylcyclohexyl)methyl]thiophene?
The canonical SMILES for 2-[(4,4-dimethylcyclohexyl)methyl]thiophene is CC1(C)CCC(Cc2cccs2)CC1.
What is the InChIKey of 2-[(4,4-dimethylcyclohexyl)methyl]thiophene?
The InChIKey is KWOPRDISLYMKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20S/c1-13(2)7-5-11(6-8-13)10-12-4-3-9-14-12/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 2-[(4,4-dimethylcyclohexyl)methyl]thiophene?
2-[(4,4-dimethylcyclohexyl)methyl]thiophene has a molecular weight of 208.37 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylcyclohexyl)methyl]thiophene is sourced from PubChem (CID 141443372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).