3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol

C11H16OS — CID 116540086

IUPAC3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol
SMILESCc1ccsc1C1(C)CCC(O)C1
InChIInChI=1S/C11H16OS/c1-8-4-6-13-10(8)11(2)5-3-9(12)7-11/h4,6,9,12H,3,5,7H2,1-2H3
InChIKeyLJZOOOSIBYGPLG-UHFFFAOYSA-N
MW196.31 g/mol
LogP2.86
Rot. Bonds1

About 3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol

3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol (PubChem CID 116540086) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol
PubChem CID116540086
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol
SMILESCc1ccsc1C1(C)CCC(O)C1
InChIInChI=1S/C11H16OS/c1-8-4-6-13-10(8)11(2)5-3-9(12)7-11/h4,6,9,12H,3,5,7H2,1-2H3
InChIKeyLJZOOOSIBYGPLG-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol?
The IUPAC name of 3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol (CID 116540086) is 3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol?
The canonical SMILES for 3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol is Cc1ccsc1C1(C)CCC(O)C1.
What is the InChIKey of 3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol?
The InChIKey is LJZOOOSIBYGPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-8-4-6-13-10(8)11(2)5-3-9(12)7-11/h4,6,9,12H,3,5,7H2,1-2H3.
What are the key properties of 3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol?
3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol has a molecular weight of 196.31 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methylthiophen-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 116540086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).