[(2S,6S)-6-methoxy-1,4-oxathian-2-yl]methanol

C6H12O3S — CID 23262042

IUPAC[(2S,6S)-6-methoxy-1,4-oxathian-2-yl]methanol
SMILESCO[C@@H]1CSC[C@H](CO)O1
InChIInChI=1S/C6H12O3S/c1-8-6-4-10-3-5(2-7)9-6/h5-7H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyLXUVOZNRCKJEBF-WDSKDSINSA-N
MW164.23 g/mol
LogP0.08
Rot. Bonds2

About [(2S,6S)-6-methoxy-1,4-oxathian-2-yl]methanol

[(2S,6S)-6-methoxy-1,4-oxathian-2-yl]methanol (PubChem CID 23262042) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is [(2S,6S)-6-methoxy-1,4-oxathian-2-yl]methanol.

Molecular Properties

Compound Name[(2S,6S)-6-methoxy-1,4-oxathian-2-yl]methanol
PubChem CID23262042
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name[(2S,6S)-6-methoxy-1,4-oxathian-2-yl]methanol
SMILESCO[C@@H]1CSC[C@H](CO)O1
InChIInChI=1S/C6H12O3S/c1-8-6-4-10-3-5(2-7)9-6/h5-7H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyLXUVOZNRCKJEBF-WDSKDSINSA-N
XLogP0.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxy-3-methyl-3-ethoxy-1,4-oxathiane
CID 15537159
[(2R,6S)-6-methoxy-4-oxo-1,4-oxathian-2-yl]methanol
CID 129654589
(2s,6r)-6-hydroxymethyl-2-methoxy-1,4-oxathian-S-oxid
CID 23262054
[2-(2-Methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol
CID 54234311
3,6-Dimethyl-1,4-oxathian-2-ol
CID 58183486
5,6-Dimethyl-1,4-oxathian-2-ol
CID 58183531
6-Methyl-1,4-oxathian-2-ol
CID 58183550
3,5,6-Trimethyl-1,4-oxathian-2-ol
CID 58183635
2-Methyl-1,4-oxathian-3-ol
CID 58183654
1-(1,3-Dioxolan-2-yl)-2-ethylsulfanylethanol
CID 67657900
2-(1,4-Oxathian-2-yloxy)propane-1,1-diol
CID 67690441
1,1-Diethoxy-3-(ethylsulfanyl)-2-propanol
CID 89106797

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-6-methoxy-1,4-oxathian-2-yl]methanol?
The IUPAC name of [(2S,6S)-6-methoxy-1,4-oxathian-2-yl]methanol (CID 23262042) is [(2S,6S)-6-methoxy-1,4-oxathian-2-yl]methanol.
What is the SMILES notation for [(2S,6S)-6-methoxy-1,4-oxathian-2-yl]methanol?
The canonical SMILES for [(2S,6S)-6-methoxy-1,4-oxathian-2-yl]methanol is CO[C@@H]1CSC[C@H](CO)O1.
What is the InChIKey of [(2S,6S)-6-methoxy-1,4-oxathian-2-yl]methanol?
The InChIKey is LXUVOZNRCKJEBF-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12O3S/c1-8-6-4-10-3-5(2-7)9-6/h5-7H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of [(2S,6S)-6-methoxy-1,4-oxathian-2-yl]methanol?
[(2S,6S)-6-methoxy-1,4-oxathian-2-yl]methanol has a molecular weight of 164.23 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-6-methoxy-1,4-oxathian-2-yl]methanol is sourced from PubChem (CID 23262042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).