tetraethyl silicate;3-trimethoxysilylpropane-1-thiol

C14H36O7SSi2 — CID 87080000

IUPACtetraethyl silicate;3-trimethoxysilylpropane-1-thiol
SMILESCCO[Si](OCC)(OCC)OCC.CO[Si](CCCS)(OC)OC
InChIInChI=1S/C8H20O4Si.C6H16O3SSi/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-7-11(8-2,9-3)6-4-5-10/h5-8H2,1-4H3;10H,4-6H2,1-3H3
InChIKeyNYWGPGGNZCFHDZ-UHFFFAOYSA-N
MW404.67 g/mol
LogP2.75
Rot. Bonds14

About tetraethyl silicate;3-trimethoxysilylpropane-1-thiol

tetraethyl silicate;3-trimethoxysilylpropane-1-thiol (PubChem CID 87080000) has the molecular formula C14H36O7SSi2 and a molecular weight of 404.67 g/mol. Its IUPAC name is tetraethyl silicate;3-trimethoxysilylpropane-1-thiol.

Molecular Properties

Compound Nametetraethyl silicate;3-trimethoxysilylpropane-1-thiol
PubChem CID87080000
Molecular FormulaC14H36O7SSi2
Molecular Weight404.67 g/mol
Exact Mass404.17
IUPAC Nametetraethyl silicate;3-trimethoxysilylpropane-1-thiol
SMILESCCO[Si](OCC)(OCC)OCC.CO[Si](CCCS)(OC)OC
InChIInChI=1S/C8H20O4Si.C6H16O3SSi/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-7-11(8-2,9-3)6-4-5-10/h5-8H2,1-4H3;10H,4-6H2,1-3H3
InChIKeyNYWGPGGNZCFHDZ-UHFFFAOYSA-N
XLogP2.75
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.67
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 tetraethyl silicate;3-trimethoxysilylpropane-1-thiol?
The IUPAC name of tetraethyl silicate;3-trimethoxysilylpropane-1-thiol (CID 87080000) is tetraethyl silicate;3-trimethoxysilylpropane-1-thiol.
What is the SMILES notation for tetraethyl silicate;3-trimethoxysilylpropane-1-thiol?
The canonical SMILES for tetraethyl silicate;3-trimethoxysilylpropane-1-thiol is CCO[Si](OCC)(OCC)OCC.CO[Si](CCCS)(OC)OC.
What is the InChIKey of tetraethyl silicate;3-trimethoxysilylpropane-1-thiol?
The InChIKey is NYWGPGGNZCFHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O4Si.C6H16O3SSi/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-7-11(8-2,9-3)6-4-5-10/h5-8H2,1-4H3;10H,4-6H2,1-3H3.
What are the key properties of tetraethyl silicate;3-trimethoxysilylpropane-1-thiol?
tetraethyl silicate;3-trimethoxysilylpropane-1-thiol has a molecular weight of 404.67 g/mol, XLogP of 2.75, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethyl silicate;3-trimethoxysilylpropane-1-thiol is sourced from PubChem (CID 87080000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).