4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane

C12H24O2S — CID 163276256

IUPAC4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane
SMILESC=CC(C=C)CCCS(C)(OC)OCC
InChIInChI=1S/C12H24O2S/c1-6-12(7-2)10-9-11-15(5,13-4)14-8-3/h6-7,12H,1-2,8-11H2,3-5H3
InChIKeyWQUCYGMVGLCAOC-UHFFFAOYSA-N
MW232.39 g/mol
LogP3.70
Rot. Bonds9

About 4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane

4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane (PubChem CID 163276256) has the molecular formula C12H24O2S and a molecular weight of 232.39 g/mol. Its IUPAC name is 4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane.

Molecular Properties

Compound Name4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane
PubChem CID163276256
Molecular FormulaC12H24O2S
Molecular Weight232.39 g/mol
Exact Mass232.15
IUPAC Name4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane
SMILESC=CC(C=C)CCCS(C)(OC)OCC
InChIInChI=1S/C12H24O2S/c1-6-12(7-2)10-9-11-15(5,13-4)14-8-3/h6-7,12H,1-2,8-11H2,3-5H3
InChIKeyWQUCYGMVGLCAOC-UHFFFAOYSA-N
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane?
The IUPAC name of 4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane (CID 163276256) is 4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane.
What is the SMILES notation for 4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane?
The canonical SMILES for 4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane is C=CC(C=C)CCCS(C)(OC)OCC.
What is the InChIKey of 4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane?
The InChIKey is WQUCYGMVGLCAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2S/c1-6-12(7-2)10-9-11-15(5,13-4)14-8-3/h6-7,12H,1-2,8-11H2,3-5H3.
What are the key properties of 4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane?
4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane has a molecular weight of 232.39 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylhex-5-enyl-ethoxy-methoxy-methyl-λ4-sulfane is sourced from PubChem (CID 163276256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).