1-methoxy-2-(2-methoxyethenylsulfinyl)ethene

C6H10O3S — CID 131721320

IUPAC1-methoxy-2-(2-methoxyethenylsulfinyl)ethene
SMILESCOC=CS(=O)C=COC
InChIInChI=1S/C6H10O3S/c1-8-3-5-10(7)6-4-9-2/h3-6H,1-2H3
InChIKeyPMQGQOXNNYDIHV-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.97
Rot. Bonds4

About 1-methoxy-2-(2-methoxyethenylsulfinyl)ethene

1-methoxy-2-(2-methoxyethenylsulfinyl)ethene (PubChem CID 131721320) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 1-methoxy-2-(2-methoxyethenylsulfinyl)ethene.

Molecular Properties

Compound Name1-methoxy-2-(2-methoxyethenylsulfinyl)ethene
PubChem CID131721320
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name1-methoxy-2-(2-methoxyethenylsulfinyl)ethene
SMILESCOC=CS(=O)C=COC
InChIInChI=1S/C6H10O3S/c1-8-3-5-10(7)6-4-9-2/h3-6H,1-2H3
InChIKeyPMQGQOXNNYDIHV-UHFFFAOYSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-methoxyethenylsulfinyl)ethene?
The IUPAC name of 1-methoxy-2-(2-methoxyethenylsulfinyl)ethene (CID 131721320) is 1-methoxy-2-(2-methoxyethenylsulfinyl)ethene.
What is the SMILES notation for 1-methoxy-2-(2-methoxyethenylsulfinyl)ethene?
The canonical SMILES for 1-methoxy-2-(2-methoxyethenylsulfinyl)ethene is COC=CS(=O)C=COC.
What is the InChIKey of 1-methoxy-2-(2-methoxyethenylsulfinyl)ethene?
The InChIKey is PMQGQOXNNYDIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-8-3-5-10(7)6-4-9-2/h3-6H,1-2H3.
What are the key properties of 1-methoxy-2-(2-methoxyethenylsulfinyl)ethene?
1-methoxy-2-(2-methoxyethenylsulfinyl)ethene has a molecular weight of 162.21 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methoxyethenylsulfinyl)ethene is sourced from PubChem (CID 131721320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).