(5-methoxy-1,3-oxathiolan-2-yl)methanol

C5H10O3S — CID 21262707

IUPAC(5-methoxy-1,3-oxathiolan-2-yl)methanol
SMILESCOC1CSC(CO)O1
InChIInChI=1S/C5H10O3S/c1-7-4-3-9-5(2-6)8-4/h4-6H,2-3H2,1H3
InChIKeyLHBJRSXVTINARH-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.04
Rot. Bonds2

About (5-methoxy-1,3-oxathiolan-2-yl)methanol

(5-methoxy-1,3-oxathiolan-2-yl)methanol (PubChem CID 21262707) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is (5-methoxy-1,3-oxathiolan-2-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-1,3-oxathiolan-2-yl)methanol
PubChem CID21262707
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name(5-methoxy-1,3-oxathiolan-2-yl)methanol
SMILESCOC1CSC(CO)O1
InChIInChI=1S/C5H10O3S/c1-7-4-3-9-5(2-6)8-4/h4-6H,2-3H2,1H3
InChIKeyLHBJRSXVTINARH-UHFFFAOYSA-N
XLogP0.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1,3-oxathiolan-2-yl)methanol?
The IUPAC name of (5-methoxy-1,3-oxathiolan-2-yl)methanol (CID 21262707) is (5-methoxy-1,3-oxathiolan-2-yl)methanol.
What is the SMILES notation for (5-methoxy-1,3-oxathiolan-2-yl)methanol?
The canonical SMILES for (5-methoxy-1,3-oxathiolan-2-yl)methanol is COC1CSC(CO)O1.
What is the InChIKey of (5-methoxy-1,3-oxathiolan-2-yl)methanol?
The InChIKey is LHBJRSXVTINARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-7-4-3-9-5(2-6)8-4/h4-6H,2-3H2,1H3.
What are the key properties of (5-methoxy-1,3-oxathiolan-2-yl)methanol?
(5-methoxy-1,3-oxathiolan-2-yl)methanol has a molecular weight of 150.20 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1,3-oxathiolan-2-yl)methanol is sourced from PubChem (CID 21262707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).