1-(sulfinatoamino)-6-triethoxysilylhex-2-ene

C12H26NO5SSi- — CID 140602622

IUPAC1-(sulfinatoamino)-6-triethoxysilylhex-2-ene
SMILESCCO[Si](CCCC=CCNS(=O)[O-])(OCC)OCC
InChIInChI=1S/C12H27NO5SSi/c1-4-16-20(17-5-2,18-6-3)12-10-8-7-9-11-13-19(14)15/h7,9,13H,4-6,8,10-12H2,1-3H3,(H,14,15)/p-1
InChIKeyZIGRXHRCYMQLIY-UHFFFAOYSA-M
MW324.50 g/mol
LogP1.75
Rot. Bonds13

About 1-(sulfinatoamino)-6-triethoxysilylhex-2-ene

1-(sulfinatoamino)-6-triethoxysilylhex-2-ene (PubChem CID 140602622) has the molecular formula C12H26NO5SSi- and a molecular weight of 324.50 g/mol. Its IUPAC name is 1-(sulfinatoamino)-6-triethoxysilylhex-2-ene.

Molecular Properties

Compound Name1-(sulfinatoamino)-6-triethoxysilylhex-2-ene
PubChem CID140602622
Molecular FormulaC12H26NO5SSi-
Molecular Weight324.50 g/mol
Exact Mass324.13
IUPAC Name1-(sulfinatoamino)-6-triethoxysilylhex-2-ene
SMILESCCO[Si](CCCC=CCNS(=O)[O-])(OCC)OCC
InChIInChI=1S/C12H27NO5SSi/c1-4-16-20(17-5-2,18-6-3)12-10-8-7-9-11-13-19(14)15/h7,9,13H,4-6,8,10-12H2,1-3H3,(H,14,15)/p-1
InChIKeyZIGRXHRCYMQLIY-UHFFFAOYSA-M
XLogP1.75
TPSA79.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(sulfinatoamino)-6-triethoxysilylhex-2-ene?
The IUPAC name of 1-(sulfinatoamino)-6-triethoxysilylhex-2-ene (CID 140602622) is 1-(sulfinatoamino)-6-triethoxysilylhex-2-ene.
What is the SMILES notation for 1-(sulfinatoamino)-6-triethoxysilylhex-2-ene?
The canonical SMILES for 1-(sulfinatoamino)-6-triethoxysilylhex-2-ene is CCO[Si](CCCC=CCNS(=O)[O-])(OCC)OCC.
What is the InChIKey of 1-(sulfinatoamino)-6-triethoxysilylhex-2-ene?
The InChIKey is ZIGRXHRCYMQLIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H27NO5SSi/c1-4-16-20(17-5-2,18-6-3)12-10-8-7-9-11-13-19(14)15/h7,9,13H,4-6,8,10-12H2,1-3H3,(H,14,15)/p-1.
What are the key properties of 1-(sulfinatoamino)-6-triethoxysilylhex-2-ene?
1-(sulfinatoamino)-6-triethoxysilylhex-2-ene has a molecular weight of 324.50 g/mol, XLogP of 1.75, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfinatoamino)-6-triethoxysilylhex-2-ene is sourced from PubChem (CID 140602622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).