3-triethoxysilylpropanethial

C9H20O3SSi — CID 18619109

IUPAC3-triethoxysilylpropanethial
SMILESCCO[Si](CCC=S)(OCC)OCC
InChIInChI=1S/C9H20O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h8H,4-7,9H2,1-3H3
InChIKeyDBOLGPZBSBYQOA-UHFFFAOYSA-N
MW236.41 g/mol
LogP2.42
Rot. Bonds9

About 3-triethoxysilylpropanethial

3-triethoxysilylpropanethial (PubChem CID 18619109) has the molecular formula C9H20O3SSi and a molecular weight of 236.41 g/mol. Its IUPAC name is 3-triethoxysilylpropanethial.

Molecular Properties

Compound Name3-triethoxysilylpropanethial
PubChem CID18619109
Molecular FormulaC9H20O3SSi
Molecular Weight236.41 g/mol
Exact Mass236.09
IUPAC Name3-triethoxysilylpropanethial
SMILESCCO[Si](CCC=S)(OCC)OCC
InChIInChI=1S/C9H20O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h8H,4-7,9H2,1-3H3
InChIKeyDBOLGPZBSBYQOA-UHFFFAOYSA-N
XLogP2.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-trimethoxysilylpropanethial
CID 19347776
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
tetrakis[3-[tris(2-triethoxysilylethyl)silyl]propyl]silane
CID 101061227
triethoxy-[3-[ethoxy(diethyl)silyl]propyl]silane
CID 87307259
N-methylmethanamine;triethoxy(propyl)silane
CID 22145973
CID 175896662
CID 175896662
gold(1+);triethoxy(propyl)silane
CID 174059879
triethoxy-[(E)-oct-6-enyl]silane
CID 87112336
triethoxy(non-6-enyl)silane
CID 123954168
triethoxy-[(E)-non-6-enyl]silane
CID 87112424
triethoxy(pentyl)silane;hydrofluoride
CID 174582602
triethoxy(3-tritiopropyl)silane
CID 91055673

Frequently Asked Questions

What is the IUPAC name of 3-triethoxysilylpropanethial?
The IUPAC name of 3-triethoxysilylpropanethial (CID 18619109) is 3-triethoxysilylpropanethial.
What is the SMILES notation for 3-triethoxysilylpropanethial?
The canonical SMILES for 3-triethoxysilylpropanethial is CCO[Si](CCC=S)(OCC)OCC.
What is the InChIKey of 3-triethoxysilylpropanethial?
The InChIKey is DBOLGPZBSBYQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3SSi/c1-4-10-14(11-5-2,12-6-3)9-7-8-13/h8H,4-7,9H2,1-3H3.
What are the key properties of 3-triethoxysilylpropanethial?
3-triethoxysilylpropanethial has a molecular weight of 236.41 g/mol, XLogP of 2.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpropanethial is sourced from PubChem (CID 18619109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).