triethoxysilyl 4-sulfanylhexanoate

C12H26O5SSi — CID 91185963

IUPACtriethoxysilyl 4-sulfanylhexanoate
SMILESCCO[Si](OCC)(OCC)OC(=O)CCC(S)CC
InChIInChI=1S/C12H26O5SSi/c1-5-11(18)9-10-12(13)17-19(14-6-2,15-7-3)16-8-4/h11,18H,5-10H2,1-4H3
InChIKeyQDFZXPGESMLLLN-UHFFFAOYSA-N
MW310.49 g/mol
LogP2.56
Rot. Bonds11

About triethoxysilyl 4-sulfanylhexanoate

triethoxysilyl 4-sulfanylhexanoate (PubChem CID 91185963) has the molecular formula C12H26O5SSi and a molecular weight of 310.49 g/mol. Its IUPAC name is triethoxysilyl 4-sulfanylhexanoate.

Molecular Properties

Compound Nametriethoxysilyl 4-sulfanylhexanoate
PubChem CID91185963
Molecular FormulaC12H26O5SSi
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC Nametriethoxysilyl 4-sulfanylhexanoate
SMILESCCO[Si](OCC)(OCC)OC(=O)CCC(S)CC
InChIInChI=1S/C12H26O5SSi/c1-5-11(18)9-10-12(13)17-19(14-6-2,15-7-3)16-8-4/h11,18H,5-10H2,1-4H3
InChIKeyQDFZXPGESMLLLN-UHFFFAOYSA-N
XLogP2.56
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethoxysilyl 4-sulfanylhexanoate?
The IUPAC name of triethoxysilyl 4-sulfanylhexanoate (CID 91185963) is triethoxysilyl 4-sulfanylhexanoate.
What is the SMILES notation for triethoxysilyl 4-sulfanylhexanoate?
The canonical SMILES for triethoxysilyl 4-sulfanylhexanoate is CCO[Si](OCC)(OCC)OC(=O)CCC(S)CC.
What is the InChIKey of triethoxysilyl 4-sulfanylhexanoate?
The InChIKey is QDFZXPGESMLLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5SSi/c1-5-11(18)9-10-12(13)17-19(14-6-2,15-7-3)16-8-4/h11,18H,5-10H2,1-4H3.
What are the key properties of triethoxysilyl 4-sulfanylhexanoate?
triethoxysilyl 4-sulfanylhexanoate has a molecular weight of 310.49 g/mol, XLogP of 2.56, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxysilyl 4-sulfanylhexanoate is sourced from PubChem (CID 91185963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).