(2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane

C10H20O3S — CID 59971673

IUPAC(2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane
SMILESCOC[C@H]1O[C@@H](C)C(C)C1OCSC
InChIInChI=1S/C10H20O3S/c1-7-8(2)13-9(5-11-3)10(7)12-6-14-4/h7-10H,5-6H2,1-4H3/t7?,8-,9+,10?/m0/s1
InChIKeyRUQUXESPKPQHNV-APTHBXDWSA-N
MW220.33 g/mol
LogP1.76
Rot. Bonds5

About (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane

(2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane (PubChem CID 59971673) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane.

Molecular Properties

Compound Name(2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane
PubChem CID59971673
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name(2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane
SMILESCOC[C@H]1O[C@@H](C)C(C)C1OCSC
InChIInChI=1S/C10H20O3S/c1-7-8(2)13-9(5-11-3)10(7)12-6-14-4/h7-10H,5-6H2,1-4H3/t7?,8-,9+,10?/m0/s1
InChIKeyRUQUXESPKPQHNV-APTHBXDWSA-N
XLogP1.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane?
The IUPAC name of (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane (CID 59971673) is (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane.
What is the SMILES notation for (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane?
The canonical SMILES for (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane is COC[C@H]1O[C@@H](C)C(C)C1OCSC.
What is the InChIKey of (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane?
The InChIKey is RUQUXESPKPQHNV-APTHBXDWSA-N. The full InChI is InChI=1S/C10H20O3S/c1-7-8(2)13-9(5-11-3)10(7)12-6-14-4/h7-10H,5-6H2,1-4H3/t7?,8-,9+,10?/m0/s1.
What are the key properties of (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane?
(2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane has a molecular weight of 220.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-(methoxymethyl)-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane is sourced from PubChem (CID 59971673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).