3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol

C11H18O2S — CID 130488159

IUPAC3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol
SMILESCOC(C)(C)C(C)(O)c1ccsc1C
InChIInChI=1S/C11H18O2S/c1-8-9(6-7-14-8)11(4,12)10(2,3)13-5/h6-7,12H,1-5H3
InChIKeyVXQZJMWDMYNCOW-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.69
Rot. Bonds3

About 3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol

3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol (PubChem CID 130488159) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol
PubChem CID130488159
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol
SMILESCOC(C)(C)C(C)(O)c1ccsc1C
InChIInChI=1S/C11H18O2S/c1-8-9(6-7-14-8)11(4,12)10(2,3)13-5/h6-7,12H,1-5H3
InChIKeyVXQZJMWDMYNCOW-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol?
The IUPAC name of 3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol (CID 130488159) is 3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol.
What is the SMILES notation for 3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol?
The canonical SMILES for 3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol is COC(C)(C)C(C)(O)c1ccsc1C.
What is the InChIKey of 3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol?
The InChIKey is VXQZJMWDMYNCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-8-9(6-7-14-8)11(4,12)10(2,3)13-5/h6-7,12H,1-5H3.
What are the key properties of 3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol?
3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-2-(2-methylthiophen-3-yl)butan-2-ol is sourced from PubChem (CID 130488159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).