3-methyl-2-thiophen-2-ylbutan-2-ol

C9H14OS — CID 11858909

IUPAC3-methyl-2-thiophen-2-ylbutan-2-ol
SMILESCC(C)C(C)(O)c1cccs1
InChIInChI=1S/C9H14OS/c1-7(2)9(3,10)8-5-4-6-11-8/h4-7,10H,1-3H3
InChIKeyDODXTTHVQJAHOG-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.61
Rot. Bonds2

About 3-methyl-2-thiophen-2-ylbutan-2-ol

3-methyl-2-thiophen-2-ylbutan-2-ol (PubChem CID 11858909) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 3-methyl-2-thiophen-2-ylbutan-2-ol.

Molecular Properties

Compound Name3-methyl-2-thiophen-2-ylbutan-2-ol
PubChem CID11858909
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name3-methyl-2-thiophen-2-ylbutan-2-ol
SMILESCC(C)C(C)(O)c1cccs1
InChIInChI=1S/C9H14OS/c1-7(2)9(3,10)8-5-4-6-11-8/h4-7,10H,1-3H3
InChIKeyDODXTTHVQJAHOG-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-thiophen-2-ylbutan-2-ol?
The IUPAC name of 3-methyl-2-thiophen-2-ylbutan-2-ol (CID 11858909) is 3-methyl-2-thiophen-2-ylbutan-2-ol.
What is the SMILES notation for 3-methyl-2-thiophen-2-ylbutan-2-ol?
The canonical SMILES for 3-methyl-2-thiophen-2-ylbutan-2-ol is CC(C)C(C)(O)c1cccs1.
What is the InChIKey of 3-methyl-2-thiophen-2-ylbutan-2-ol?
The InChIKey is DODXTTHVQJAHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-7(2)9(3,10)8-5-4-6-11-8/h4-7,10H,1-3H3.
What are the key properties of 3-methyl-2-thiophen-2-ylbutan-2-ol?
3-methyl-2-thiophen-2-ylbutan-2-ol has a molecular weight of 170.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-thiophen-2-ylbutan-2-ol is sourced from PubChem (CID 11858909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).