(2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane

C11H22O2S — CID 59628307

IUPAC(2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane
SMILESCCOC[C@H]1S[C@@H](C)[C@H](C)[C@@H]1OCC
InChIInChI=1S/C11H22O2S/c1-5-12-7-10-11(13-6-2)8(3)9(4)14-10/h8-11H,5-7H2,1-4H3/t8-,9-,10+,11-/m0/s1
InChIKeyNQIUTERFPWJONO-MMWGEVLESA-N
MW218.36 g/mol
LogP2.57
Rot. Bonds5

About (2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane

(2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane (PubChem CID 59628307) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is (2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane.

Molecular Properties

Compound Name(2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane
PubChem CID59628307
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name(2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane
SMILESCCOC[C@H]1S[C@@H](C)[C@H](C)[C@@H]1OCC
InChIInChI=1S/C11H22O2S/c1-5-12-7-10-11(13-6-2)8(3)9(4)14-10/h8-11H,5-7H2,1-4H3/t8-,9-,10+,11-/m0/s1
InChIKeyNQIUTERFPWJONO-MMWGEVLESA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane?
The IUPAC name of (2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane (CID 59628307) is (2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane.
What is the SMILES notation for (2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane?
The canonical SMILES for (2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane is CCOC[C@H]1S[C@@H](C)[C@H](C)[C@@H]1OCC.
What is the InChIKey of (2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane?
The InChIKey is NQIUTERFPWJONO-MMWGEVLESA-N. The full InChI is InChI=1S/C11H22O2S/c1-5-12-7-10-11(13-6-2)8(3)9(4)14-10/h8-11H,5-7H2,1-4H3/t8-,9-,10+,11-/m0/s1.
What are the key properties of (2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane?
(2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane has a molecular weight of 218.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-3-ethoxy-2-(ethoxymethyl)-4,5-dimethylthiolane is sourced from PubChem (CID 59628307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).