3-methoxy-5-(methoxymethyl)thiolan-2-ol

C7H14O3S — CID 144905810

IUPAC3-methoxy-5-(methoxymethyl)thiolan-2-ol
SMILESCOCC1CC(OC)C(O)S1
InChIInChI=1S/C7H14O3S/c1-9-4-5-3-6(10-2)7(8)11-5/h5-8H,3-4H2,1-2H3
InChIKeyQIXKWJSSMBBGGV-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.47
Rot. Bonds3

About 3-methoxy-5-(methoxymethyl)thiolan-2-ol

3-methoxy-5-(methoxymethyl)thiolan-2-ol (PubChem CID 144905810) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 3-methoxy-5-(methoxymethyl)thiolan-2-ol.

Molecular Properties

Compound Name3-methoxy-5-(methoxymethyl)thiolan-2-ol
PubChem CID144905810
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name3-methoxy-5-(methoxymethyl)thiolan-2-ol
SMILESCOCC1CC(OC)C(O)S1
InChIInChI=1S/C7H14O3S/c1-9-4-5-3-6(10-2)7(8)11-5/h5-8H,3-4H2,1-2H3
InChIKeyQIXKWJSSMBBGGV-UHFFFAOYSA-N
XLogP0.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)thiirane
CID 29837
(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol
CID 165022353
CID 154603491
CID 154603491
(3R,5S)-1-amino-5-(methoxymethyl)pyrrolidin-3-ol
CID 45078936
cis-(2S,4R)-1-methoxy-2-(methoxymethyl)-4-methylcyclopentane
CID 58944665
(4R,6aR)-5-methoxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 58400407
(2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
CID 10943643
(1R,2R,3S)-3-methoxycyclobutane-1,2-diol
CID 22814752
ethane;5-(methoxymethyl)pyrrolidin-3-ol
CID 162382010
(3S,5R)-5-(methoxymethyl)pyrrolidin-3-ol;hydrochloride
CID 155904303
(2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane
CID 15061031
(2R,3S,5S)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763870

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(methoxymethyl)thiolan-2-ol?
The IUPAC name of 3-methoxy-5-(methoxymethyl)thiolan-2-ol (CID 144905810) is 3-methoxy-5-(methoxymethyl)thiolan-2-ol.
What is the SMILES notation for 3-methoxy-5-(methoxymethyl)thiolan-2-ol?
The canonical SMILES for 3-methoxy-5-(methoxymethyl)thiolan-2-ol is COCC1CC(OC)C(O)S1.
What is the InChIKey of 3-methoxy-5-(methoxymethyl)thiolan-2-ol?
The InChIKey is QIXKWJSSMBBGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-9-4-5-3-6(10-2)7(8)11-5/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-methoxy-5-(methoxymethyl)thiolan-2-ol?
3-methoxy-5-(methoxymethyl)thiolan-2-ol has a molecular weight of 178.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(methoxymethyl)thiolan-2-ol is sourced from PubChem (CID 144905810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).