3-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-ol

C11H18O2S — CID 103027567

IUPAC3-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-ol
SMILESCOC(C)(C)CC(O)c1csc(C)c1
InChIInChI=1S/C11H18O2S/c1-8-5-9(7-14-8)10(12)6-11(2,3)13-4/h5,7,10,12H,6H2,1-4H3
InChIKeyCJFHCTBPVPUKLK-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.91
Rot. Bonds4

About 3-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-ol

3-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-ol (PubChem CID 103027567) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-ol
PubChem CID103027567
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name3-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-ol
SMILESCOC(C)(C)CC(O)c1csc(C)c1
InChIInChI=1S/C11H18O2S/c1-8-5-9(7-14-8)10(12)6-11(2,3)13-4/h5,7,10,12H,6H2,1-4H3
InChIKeyCJFHCTBPVPUKLK-UHFFFAOYSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.91
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-1-(5-methylthiophen-3-yl)butan-1-ol?
The IUPAC name of 3-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-ol (CID 103027567) is 3-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-ol.
What is the SMILES notation for 3-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-ol?
The canonical SMILES for 3-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-ol is COC(C)(C)CC(O)c1csc(C)c1.
What is the InChIKey of 3-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-ol?
The InChIKey is CJFHCTBPVPUKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-8-5-9(7-14-8)10(12)6-11(2,3)13-4/h5,7,10,12H,6H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-ol?
3-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(5-methylthiophen-3-yl)butan-1-ol is sourced from PubChem (CID 103027567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).