2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol

C11H20O3S — CID 117168937

IUPAC2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C2CCCCS2)OCC(CCO)O1
InChIInChI=1S/C11H20O3S/c1-11(10-4-2-3-7-15-10)13-8-9(14-11)5-6-12/h9-10,12H,2-8H2,1H3
InChIKeyRKWFVISAKXYIFB-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.79
Rot. Bonds3

About 2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol

2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol (PubChem CID 117168937) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol
PubChem CID117168937
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C2CCCCS2)OCC(CCO)O1
InChIInChI=1S/C11H20O3S/c1-11(10-4-2-3-7-15-10)13-8-9(14-11)5-6-12/h9-10,12H,2-8H2,1H3
InChIKeyRKWFVISAKXYIFB-UHFFFAOYSA-N
XLogP1.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol (CID 117168937) is 2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol is CC1(C2CCCCS2)OCC(CCO)O1.
What is the InChIKey of 2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol?
The InChIKey is RKWFVISAKXYIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-11(10-4-2-3-7-15-10)13-8-9(14-11)5-6-12/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol?
2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol has a molecular weight of 232.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(thian-2-yl)-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117168937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).