1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol

C10H18OS — CID 145005841

IUPAC1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol
SMILESCC(O)C1=CCC(C(C)(C)C)S1
InChIInChI=1S/C10H18OS/c1-7(11)8-5-6-9(12-8)10(2,3)4/h5,7,9,11H,6H2,1-4H3
InChIKeyQGTCRMGAPRBTJT-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.80
Rot. Bonds1

About 1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol

1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol (PubChem CID 145005841) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol.

Molecular Properties

Compound Name1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol
PubChem CID145005841
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol
SMILESCC(O)C1=CCC(C(C)(C)C)S1
InChIInChI=1S/C10H18OS/c1-7(11)8-5-6-9(12-8)10(2,3)4/h5,7,9,11H,6H2,1-4H3
InChIKeyQGTCRMGAPRBTJT-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol?
The IUPAC name of 1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol (CID 145005841) is 1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol.
What is the SMILES notation for 1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol?
The canonical SMILES for 1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol is CC(O)C1=CCC(C(C)(C)C)S1.
What is the InChIKey of 1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol?
The InChIKey is QGTCRMGAPRBTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-7(11)8-5-6-9(12-8)10(2,3)4/h5,7,9,11H,6H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol?
1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol has a molecular weight of 186.32 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol is sourced from PubChem (CID 145005841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).