1-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-ol

C11H16OS — CID 130558369

IUPAC1-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-ol
SMILESCc1cc(CC2(O)CCCC2)cs1
InChIInChI=1S/C11H16OS/c1-9-6-10(8-13-9)7-11(12)4-2-3-5-11/h6,8,12H,2-5,7H2,1H3
InChIKeySUKMIZIQDGFPOR-UHFFFAOYSA-N
MW196.31 g/mol
LogP2.90
Rot. Bonds2

About 1-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-ol

1-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-ol (PubChem CID 130558369) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 1-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-ol
PubChem CID130558369
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name1-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-ol
SMILESCc1cc(CC2(O)CCCC2)cs1
InChIInChI=1S/C11H16OS/c1-9-6-10(8-13-9)7-11(12)4-2-3-5-11/h6,8,12H,2-5,7H2,1H3
InChIKeySUKMIZIQDGFPOR-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-ol (CID 130558369) is 1-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-ol is Cc1cc(CC2(O)CCCC2)cs1.
What is the InChIKey of 1-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-ol?
The InChIKey is SUKMIZIQDGFPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-9-6-10(8-13-9)7-11(12)4-2-3-5-11/h6,8,12H,2-5,7H2,1H3.
What are the key properties of 1-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-ol?
1-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-ol has a molecular weight of 196.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylthiophen-3-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 130558369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).