2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol

C11H18OS — CID 115807733

IUPAC2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol
SMILESCCC(C)(C)C(O)c1csc(C)c1
InChIInChI=1S/C11H18OS/c1-5-11(3,4)10(12)9-6-8(2)13-7-9/h6-7,10,12H,5H2,1-4H3
InChIKeyRPDCLNZLGOBSLN-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.53
Rot. Bonds3

About 2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol

2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol (PubChem CID 115807733) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol
PubChem CID115807733
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol
SMILESCCC(C)(C)C(O)c1csc(C)c1
InChIInChI=1S/C11H18OS/c1-5-11(3,4)10(12)9-6-8(2)13-7-9/h6-7,10,12H,5H2,1-4H3
InChIKeyRPDCLNZLGOBSLN-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(5-methylthiophen-3-yl)propane-1,2-diol
CID 103449100
2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylbutan-1-ol
CID 79068633
[2,2-dimethyl-1-(5-methylthiophen-3-yl)butyl]hydrazine
CID 105313380
(1R)-1-(5-methylthiophen-3-yl)ethanol
CID 131209035
2-methyl-1-(5-methylthiophen-3-yl)-2-piperidin-1-ylpropan-1-ol
CID 79044854
3-ethyl-1-(5-methylthiophen-3-yl)pentane-1,2-diol
CID 103459822
2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol
CID 65099385
1-(5-methylthiophen-3-yl)-2-phenylethanol
CID 65100081
2-(2-methylphenyl)sulfanyl-1-(5-methylthiophen-3-yl)ethanol
CID 66097358
2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116759557
2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol
CID 65099998
(1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol
CID 55293890

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol (CID 115807733) is 2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol is CCC(C)(C)C(O)c1csc(C)c1.
What is the InChIKey of 2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol?
The InChIKey is RPDCLNZLGOBSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-5-11(3,4)10(12)9-6-8(2)13-7-9/h6-7,10,12H,5H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol?
2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol has a molecular weight of 198.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-ol is sourced from PubChem (CID 115807733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).