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

C10H20O2S — CID 59637402

IUPAC(2R,4R,5S)-2-ethyl-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane
SMILESCC[C@H]1O[C@@H](C)[C@@H](C)C1OCSC
InChIInChI=1S/C10H20O2S/c1-5-9-10(11-6-13-4)7(2)8(3)12-9/h7-10H,5-6H2,1-4H3/t7-,8+,9-,10?/m1/s1
InChIKeyXCEQJSQPIPHMSF-WSSOQDAQSA-N
MW204.33 g/mol
LogP2.53
Rot. Bonds4

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

(2R,4R,5S)-2-ethyl-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane (PubChem CID 59637402) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is (2R,4R,5S)-2-ethyl-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane.

Molecular Properties

Compound Name(2R,4R,5S)-2-ethyl-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane
PubChem CID59637402
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name(2R,4R,5S)-2-ethyl-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane
SMILESCC[C@H]1O[C@@H](C)[C@@H](C)C1OCSC
InChIInChI=1S/C10H20O2S/c1-5-9-10(11-6-13-4)7(2)8(3)12-9/h7-10H,5-6H2,1-4H3/t7-,8+,9-,10?/m1/s1
InChIKeyXCEQJSQPIPHMSF-WSSOQDAQSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.53
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,4R,5S)-2-ethyl-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane?
The IUPAC name of (2R,4R,5S)-2-ethyl-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane (CID 59637402) is (2R,4R,5S)-2-ethyl-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane.
What is the SMILES notation for (2R,4R,5S)-2-ethyl-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane?
The canonical SMILES for (2R,4R,5S)-2-ethyl-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane is CC[C@H]1O[C@@H](C)[C@@H](C)C1OCSC.
What is the InChIKey of (2R,4R,5S)-2-ethyl-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane?
The InChIKey is XCEQJSQPIPHMSF-WSSOQDAQSA-N. The full InChI is InChI=1S/C10H20O2S/c1-5-9-10(11-6-13-4)7(2)8(3)12-9/h7-10H,5-6H2,1-4H3/t7-,8+,9-,10?/m1/s1.
What are the key properties of (2R,4R,5S)-2-ethyl-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane?
(2R,4R,5S)-2-ethyl-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane has a molecular weight of 204.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-2-ethyl-4,5-dimethyl-3-(methylsulfanylmethoxy)oxolane is sourced from PubChem (CID 59637402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).