3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol

C13H22OS — CID 135209412

IUPAC3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol
SMILESCC(C)Cc1ccc(C(C)(C)C(C)O)s1
InChIInChI=1S/C13H22OS/c1-9(2)8-11-6-7-12(15-11)13(4,5)10(3)14/h6-7,9-10,14H,8H2,1-5H3
InChIKeyRUAJMVVHZLXHEE-UHFFFAOYSA-N
MW226.38 g/mol
LogP3.61
Rot. Bonds4

About 3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol

3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol (PubChem CID 135209412) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is 3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol.

Molecular Properties

Compound Name3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol
PubChem CID135209412
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Name3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol
SMILESCC(C)Cc1ccc(C(C)(C)C(C)O)s1
InChIInChI=1S/C13H22OS/c1-9(2)8-11-6-7-12(15-11)13(4,5)10(3)14/h6-7,9-10,14H,8H2,1-5H3
InChIKeyRUAJMVVHZLXHEE-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol?
The IUPAC name of 3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol (CID 135209412) is 3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol.
What is the SMILES notation for 3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol?
The canonical SMILES for 3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol is CC(C)Cc1ccc(C(C)(C)C(C)O)s1.
What is the InChIKey of 3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol?
The InChIKey is RUAJMVVHZLXHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS/c1-9(2)8-11-6-7-12(15-11)13(4,5)10(3)14/h6-7,9-10,14H,8H2,1-5H3.
What are the key properties of 3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol?
3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol has a molecular weight of 226.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol is sourced from PubChem (CID 135209412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).