2-(5-tert-butylthiophen-2-yl)-3-methylbutan-2-ol

C13H22OS — CID 58481761

IUPAC2-(5-tert-butylthiophen-2-yl)-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)c1ccc(C(C)(C)C)s1
InChIInChI=1S/C13H22OS/c1-9(2)13(6,14)11-8-7-10(15-11)12(3,4)5/h7-9,14H,1-6H3
InChIKeyMGRSBCWVPQQDAU-UHFFFAOYSA-N
MW226.38 g/mol
LogP3.91
Rot. Bonds2

About 2-(5-tert-butylthiophen-2-yl)-3-methylbutan-2-ol

2-(5-tert-butylthiophen-2-yl)-3-methylbutan-2-ol (PubChem CID 58481761) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is 2-(5-tert-butylthiophen-2-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(5-tert-butylthiophen-2-yl)-3-methylbutan-2-ol
PubChem CID58481761
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Name2-(5-tert-butylthiophen-2-yl)-3-methylbutan-2-ol
SMILESCC(C)C(C)(O)c1ccc(C(C)(C)C)s1
InChIInChI=1S/C13H22OS/c1-9(2)13(6,14)11-8-7-10(15-11)12(3,4)5/h7-9,14H,1-6H3
InChIKeyMGRSBCWVPQQDAU-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butylthiophen-2-yl)-3-methylbutan-2-ol?
The IUPAC name of 2-(5-tert-butylthiophen-2-yl)-3-methylbutan-2-ol (CID 58481761) is 2-(5-tert-butylthiophen-2-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 2-(5-tert-butylthiophen-2-yl)-3-methylbutan-2-ol?
The canonical SMILES for 2-(5-tert-butylthiophen-2-yl)-3-methylbutan-2-ol is CC(C)C(C)(O)c1ccc(C(C)(C)C)s1.
What is the InChIKey of 2-(5-tert-butylthiophen-2-yl)-3-methylbutan-2-ol?
The InChIKey is MGRSBCWVPQQDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS/c1-9(2)13(6,14)11-8-7-10(15-11)12(3,4)5/h7-9,14H,1-6H3.
What are the key properties of 2-(5-tert-butylthiophen-2-yl)-3-methylbutan-2-ol?
2-(5-tert-butylthiophen-2-yl)-3-methylbutan-2-ol has a molecular weight of 226.38 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butylthiophen-2-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 58481761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).