(2R,3R)-2-ethyl-3-(methoxymethoxy)thiolane

C8H16O2S — CID 10035133

IUPAC(2R,3R)-2-ethyl-3-(methoxymethoxy)thiolane
SMILESCC[C@H]1SCC[C@H]1OCOC
InChIInChI=1S/C8H16O2S/c1-3-8-7(4-5-11-8)10-6-9-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyFPTYSAKPHXYARH-HTQZYQBOSA-N
MW176.28 g/mol
LogP1.89
Rot. Bonds4

About (2R,3R)-2-ethyl-3-(methoxymethoxy)thiolane

(2R,3R)-2-ethyl-3-(methoxymethoxy)thiolane (PubChem CID 10035133) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is (2R,3R)-2-ethyl-3-(methoxymethoxy)thiolane.

Molecular Properties

Compound Name(2R,3R)-2-ethyl-3-(methoxymethoxy)thiolane
PubChem CID10035133
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name(2R,3R)-2-ethyl-3-(methoxymethoxy)thiolane
SMILESCC[C@H]1SCC[C@H]1OCOC
InChIInChI=1S/C8H16O2S/c1-3-8-7(4-5-11-8)10-6-9-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyFPTYSAKPHXYARH-HTQZYQBOSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethyl-3-(methoxymethoxy)thiolane?
The IUPAC name of (2R,3R)-2-ethyl-3-(methoxymethoxy)thiolane (CID 10035133) is (2R,3R)-2-ethyl-3-(methoxymethoxy)thiolane.
What is the SMILES notation for (2R,3R)-2-ethyl-3-(methoxymethoxy)thiolane?
The canonical SMILES for (2R,3R)-2-ethyl-3-(methoxymethoxy)thiolane is CC[C@H]1SCC[C@H]1OCOC.
What is the InChIKey of (2R,3R)-2-ethyl-3-(methoxymethoxy)thiolane?
The InChIKey is FPTYSAKPHXYARH-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16O2S/c1-3-8-7(4-5-11-8)10-6-9-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-2-ethyl-3-(methoxymethoxy)thiolane?
(2R,3R)-2-ethyl-3-(methoxymethoxy)thiolane has a molecular weight of 176.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethyl-3-(methoxymethoxy)thiolane is sourced from PubChem (CID 10035133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).