5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol

C13H22OS — CID 143591547

IUPAC5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol
SMILESCC(C)Cc1ccc(CCCC(C)O)s1
InChIInChI=1S/C13H22OS/c1-10(2)9-13-8-7-12(15-13)6-4-5-11(3)14/h7-8,10-11,14H,4-6,9H2,1-3H3
InChIKeySQZKGNWSCUMIFN-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.65
Rot. Bonds6

About 5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol

5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol (PubChem CID 143591547) has the molecular formula C13H22OS and a molecular weight of 226.39 g/mol. Its IUPAC name is 5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol.

Molecular Properties

Compound Name5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol
PubChem CID143591547
Molecular FormulaC13H22OS
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol
SMILESCC(C)Cc1ccc(CCCC(C)O)s1
InChIInChI=1S/C13H22OS/c1-10(2)9-13-8-7-12(15-13)6-4-5-11(3)14/h7-8,10-11,14H,4-6,9H2,1-3H3
InChIKeySQZKGNWSCUMIFN-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol?
The IUPAC name of 5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol (CID 143591547) is 5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol.
What is the SMILES notation for 5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol?
The canonical SMILES for 5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol is CC(C)Cc1ccc(CCCC(C)O)s1.
What is the InChIKey of 5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol?
The InChIKey is SQZKGNWSCUMIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS/c1-10(2)9-13-8-7-12(15-13)6-4-5-11(3)14/h7-8,10-11,14H,4-6,9H2,1-3H3.
What are the key properties of 5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol?
5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol has a molecular weight of 226.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol is sourced from PubChem (CID 143591547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).