2-methyl-2-thiophen-2-ylcyclohexan-1-one

C11H14OS — CID 54201898

IUPAC2-methyl-2-thiophen-2-ylcyclohexan-1-one
SMILESCC1(c2cccs2)CCCCC1=O
InChIInChI=1S/C11H14OS/c1-11(10-6-4-8-13-10)7-3-2-5-9(11)12/h4,6,8H,2-3,5,7H2,1H3
InChIKeyPPVMYSAZPIUNAF-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.15
Rot. Bonds1

About 2-methyl-2-thiophen-2-ylcyclohexan-1-one

2-methyl-2-thiophen-2-ylcyclohexan-1-one (PubChem CID 54201898) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-methyl-2-thiophen-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-methyl-2-thiophen-2-ylcyclohexan-1-one
PubChem CID54201898
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name2-methyl-2-thiophen-2-ylcyclohexan-1-one
SMILESCC1(c2cccs2)CCCCC1=O
InChIInChI=1S/C11H14OS/c1-11(10-6-4-8-13-10)7-3-2-5-9(11)12/h4,6,8H,2-3,5,7H2,1H3
InChIKeyPPVMYSAZPIUNAF-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-thiophen-2-ylcyclohexan-1-one?
The IUPAC name of 2-methyl-2-thiophen-2-ylcyclohexan-1-one (CID 54201898) is 2-methyl-2-thiophen-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-methyl-2-thiophen-2-ylcyclohexan-1-one?
The canonical SMILES for 2-methyl-2-thiophen-2-ylcyclohexan-1-one is CC1(c2cccs2)CCCCC1=O.
What is the InChIKey of 2-methyl-2-thiophen-2-ylcyclohexan-1-one?
The InChIKey is PPVMYSAZPIUNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-11(10-6-4-8-13-10)7-3-2-5-9(11)12/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of 2-methyl-2-thiophen-2-ylcyclohexan-1-one?
2-methyl-2-thiophen-2-ylcyclohexan-1-one has a molecular weight of 194.30 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-thiophen-2-ylcyclohexan-1-one is sourced from PubChem (CID 54201898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).