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

C6H12O3S — CID 15168217

IUPAC(5-ethoxy-1,3-oxathiolan-2-yl)methanol
SMILESCCOC1CSC(CO)O1
InChIInChI=1S/C6H12O3S/c1-2-8-5-4-10-6(3-7)9-5/h5-7H,2-4H2,1H3
InChIKeyVRVHSTHQFYLMHW-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.43
Rot. Bonds3

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

(5-ethoxy-1,3-oxathiolan-2-yl)methanol (PubChem CID 15168217) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is (5-ethoxy-1,3-oxathiolan-2-yl)methanol.

Molecular Properties

Compound Name(5-ethoxy-1,3-oxathiolan-2-yl)methanol
PubChem CID15168217
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name(5-ethoxy-1,3-oxathiolan-2-yl)methanol
SMILESCCOC1CSC(CO)O1
InChIInChI=1S/C6H12O3S/c1-2-8-5-4-10-6(3-7)9-5/h5-7H,2-4H2,1H3
InChIKeyVRVHSTHQFYLMHW-UHFFFAOYSA-N
XLogP0.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(hydroxymethyl)-1,3-oxathiolan-5-ol
CID 170456158
2-(4,5-Dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol
CID 15043698
1-(2,2-Diethoxy-1-hydroxyethyl)sulfanyl-2,2-diethoxyethanol
CID 18507093
2-[2-[1,3-Dioxolan-2-yl]ethylthio]ethanol
CID 19082181
2-(2-Methylsulfanylethyl)-1,3-dioxolan-4-ol
CID 19861962
(2-Ethyl-1,3-dioxolan-4-yl)sulfanylmethanol
CID 19861965
S-(1,3-dioxolan-2-ylmethyl) ethanethioate
CID 20233085
2-(Methylsulfanylmethyl)-1,3-dioxolane
CID 20662577
2-Ethyl-1,3-oxathiolan-5-ol
CID 20744753
Actinium;2-ethyl-1,3-oxathiolan-5-ol
CID 20744758
2-(Ethylperoxymethyl)-1,3-oxathiolan-5-ol
CID 20744760
Actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol
CID 20744762

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-1,3-oxathiolan-2-yl)methanol?
The IUPAC name of (5-ethoxy-1,3-oxathiolan-2-yl)methanol (CID 15168217) is (5-ethoxy-1,3-oxathiolan-2-yl)methanol.
What is the SMILES notation for (5-ethoxy-1,3-oxathiolan-2-yl)methanol?
The canonical SMILES for (5-ethoxy-1,3-oxathiolan-2-yl)methanol is CCOC1CSC(CO)O1.
What is the InChIKey of (5-ethoxy-1,3-oxathiolan-2-yl)methanol?
The InChIKey is VRVHSTHQFYLMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-2-8-5-4-10-6(3-7)9-5/h5-7H,2-4H2,1H3.
What are the key properties of (5-ethoxy-1,3-oxathiolan-2-yl)methanol?
(5-ethoxy-1,3-oxathiolan-2-yl)methanol has a molecular weight of 164.23 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-1,3-oxathiolan-2-yl)methanol is sourced from PubChem (CID 15168217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).