[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol

C11H16O2S — CID 79365790

IUPAC[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol
SMILESCc1cc(C2OCCC2CO)c(C)s1
InChIInChI=1S/C11H16O2S/c1-7-5-10(8(2)14-7)11-9(6-12)3-4-13-11/h5,9,11-12H,3-4,6H2,1-2H3
InChIKeyXMOILNBCOMTUAG-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.43
Rot. Bonds2

About [2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol

[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol (PubChem CID 79365790) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is [2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol
PubChem CID79365790
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol
SMILESCc1cc(C2OCCC2CO)c(C)s1
InChIInChI=1S/C11H16O2S/c1-7-5-10(8(2)14-7)11-9(6-12)3-4-13-11/h5,9,11-12H,3-4,6H2,1-2H3
InChIKeyXMOILNBCOMTUAG-UHFFFAOYSA-N
XLogP2.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol?
The IUPAC name of [2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol (CID 79365790) is [2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol.
What is the SMILES notation for [2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol?
The canonical SMILES for [2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol is Cc1cc(C2OCCC2CO)c(C)s1.
What is the InChIKey of [2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol?
The InChIKey is XMOILNBCOMTUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-7-5-10(8(2)14-7)11-9(6-12)3-4-13-11/h5,9,11-12H,3-4,6H2,1-2H3.
What are the key properties of [2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol?
[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol has a molecular weight of 212.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol is sourced from PubChem (CID 79365790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).