2-methoxyprop-2-enyl-methyl-methylidene-λ4-sulfane

C6H12OS — CID 123332831

IUPAC2-methoxyprop-2-enyl-methyl-methylidene-λ4-sulfane
SMILESC=C(CS(=C)C)OC
InChIInChI=1S/C6H12OS/c1-6(7-2)5-8(3)4/h1,3,5H2,2,4H3
InChIKeyMUPJUNLNUVRCCX-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.48
Rot. Bonds3

About 2-methoxyprop-2-enyl-methyl-methylidene-λ4-sulfane

2-methoxyprop-2-enyl-methyl-methylidene-λ4-sulfane (PubChem CID 123332831) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 2-methoxyprop-2-enyl-methyl-methylidene-λ4-sulfane.

Molecular Properties

Compound Name2-methoxyprop-2-enyl-methyl-methylidene-λ4-sulfane
PubChem CID123332831
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name2-methoxyprop-2-enyl-methyl-methylidene-λ4-sulfane
SMILESC=C(CS(=C)C)OC
InChIInChI=1S/C6H12OS/c1-6(7-2)5-8(3)4/h1,3,5H2,2,4H3
InChIKeyMUPJUNLNUVRCCX-UHFFFAOYSA-N
XLogP1.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyprop-2-enyl-methyl-methylidene-λ4-sulfane?
The IUPAC name of 2-methoxyprop-2-enyl-methyl-methylidene-λ4-sulfane (CID 123332831) is 2-methoxyprop-2-enyl-methyl-methylidene-λ4-sulfane.
What is the SMILES notation for 2-methoxyprop-2-enyl-methyl-methylidene-λ4-sulfane?
The canonical SMILES for 2-methoxyprop-2-enyl-methyl-methylidene-λ4-sulfane is C=C(CS(=C)C)OC.
What is the InChIKey of 2-methoxyprop-2-enyl-methyl-methylidene-λ4-sulfane?
The InChIKey is MUPJUNLNUVRCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-6(7-2)5-8(3)4/h1,3,5H2,2,4H3.
What are the key properties of 2-methoxyprop-2-enyl-methyl-methylidene-λ4-sulfane?
2-methoxyprop-2-enyl-methyl-methylidene-λ4-sulfane has a molecular weight of 132.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyprop-2-enyl-methyl-methylidene-λ4-sulfane is sourced from PubChem (CID 123332831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).