3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol

C12H22O3SSi — CID 18401981

IUPAC3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol
SMILESC=C(C)O[Si](CCCS)(OC(=C)C)OC(=C)C
InChIInChI=1S/C12H22O3SSi/c1-10(2)13-17(9-7-8-16,14-11(3)4)15-12(5)6/h16H,1,3,5,7-9H2,2,4,6H3
InChIKeyLXMRIRQDAGGRRG-UHFFFAOYSA-N
MW274.46 g/mol
LogP3.90
Rot. Bonds9

About 3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol

3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol (PubChem CID 18401981) has the molecular formula C12H22O3SSi and a molecular weight of 274.46 g/mol. Its IUPAC name is 3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol.

Molecular Properties

Compound Name3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol
PubChem CID18401981
Molecular FormulaC12H22O3SSi
Molecular Weight274.46 g/mol
Exact Mass274.11
IUPAC Name3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol
SMILESC=C(C)O[Si](CCCS)(OC(=C)C)OC(=C)C
InChIInChI=1S/C12H22O3SSi/c1-10(2)13-17(9-7-8-16,14-11(3)4)15-12(5)6/h16H,1,3,5,7-9H2,2,4,6H3
InChIKeyLXMRIRQDAGGRRG-UHFFFAOYSA-N
XLogP3.90
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

silane;3-trimethoxysilylpropane-1-thiol
CID 157336747
hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
methoxysilane;3-trimethoxysilylpropane-1-thiol
CID 159282463
3-tris(trimethylsilyloxy)silylpropane-1-thiol
CID 18003138
azane;3-triethoxysilylpropane-1-thiol
CID 174882567
3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol
CID 54009518
3-sulfanylpropanoic acid;3-trimethoxysilylpropane-1-thiol
CID 88693959
benzene;3-triethoxysilylpropane-1-thiol
CID 157185435
3-trimethoxysilylpropane-1-thiol;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 169430479
3-trihydroxysilylpropane-1-thiol
CID 15787898
3-trihexoxysilylpropane-1-thiol
CID 88832868
propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174868664

Frequently Asked Questions

What is the IUPAC name of 3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol?
The IUPAC name of 3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol (CID 18401981) is 3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol.
What is the SMILES notation for 3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol?
The canonical SMILES for 3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol is C=C(C)O[Si](CCCS)(OC(=C)C)OC(=C)C.
What is the InChIKey of 3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol?
The InChIKey is LXMRIRQDAGGRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3SSi/c1-10(2)13-17(9-7-8-16,14-11(3)4)15-12(5)6/h16H,1,3,5,7-9H2,2,4,6H3.
What are the key properties of 3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol?
3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol has a molecular weight of 274.46 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol is sourced from PubChem (CID 18401981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).