3-methyl-4-(5-methylthiophen-2-yl)oxan-4-ol

C11H16O2S — CID 126975005

IUPAC3-methyl-4-(5-methylthiophen-2-yl)oxan-4-ol
SMILESCc1ccc(C2(O)CCOCC2C)s1
InChIInChI=1S/C11H16O2S/c1-8-7-13-6-5-11(8,12)10-4-3-9(2)14-10/h3-4,8,12H,5-7H2,1-2H3
InChIKeyGBQXBLVGDOZGFT-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.30
Rot. Bonds1

About 3-methyl-4-(5-methylthiophen-2-yl)oxan-4-ol

3-methyl-4-(5-methylthiophen-2-yl)oxan-4-ol (PubChem CID 126975005) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 3-methyl-4-(5-methylthiophen-2-yl)oxan-4-ol.

Molecular Properties

Compound Name3-methyl-4-(5-methylthiophen-2-yl)oxan-4-ol
PubChem CID126975005
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name3-methyl-4-(5-methylthiophen-2-yl)oxan-4-ol
SMILESCc1ccc(C2(O)CCOCC2C)s1
InChIInChI=1S/C11H16O2S/c1-8-7-13-6-5-11(8,12)10-4-3-9(2)14-10/h3-4,8,12H,5-7H2,1-2H3
InChIKeyGBQXBLVGDOZGFT-UHFFFAOYSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5-methylthiophen-2-yl)oxan-4-ol?
The IUPAC name of 3-methyl-4-(5-methylthiophen-2-yl)oxan-4-ol (CID 126975005) is 3-methyl-4-(5-methylthiophen-2-yl)oxan-4-ol.
What is the SMILES notation for 3-methyl-4-(5-methylthiophen-2-yl)oxan-4-ol?
The canonical SMILES for 3-methyl-4-(5-methylthiophen-2-yl)oxan-4-ol is Cc1ccc(C2(O)CCOCC2C)s1.
What is the InChIKey of 3-methyl-4-(5-methylthiophen-2-yl)oxan-4-ol?
The InChIKey is GBQXBLVGDOZGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-8-7-13-6-5-11(8,12)10-4-3-9(2)14-10/h3-4,8,12H,5-7H2,1-2H3.
What are the key properties of 3-methyl-4-(5-methylthiophen-2-yl)oxan-4-ol?
3-methyl-4-(5-methylthiophen-2-yl)oxan-4-ol has a molecular weight of 212.31 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5-methylthiophen-2-yl)oxan-4-ol is sourced from PubChem (CID 126975005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).