propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate

C13H28O5SSi — CID 174868664

IUPACpropane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC)(OC)OC.CCCS
InChIInChI=1S/C10H20O5Si.C3H8S/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-2-3-4/h1,6-8H2,2-5H3;4H,2-3H2,1H3
InChIKeyRPUJKCYEMNAXCB-UHFFFAOYSA-N
MW324.52 g/mol
LogP2.70
Rot. Bonds9

About propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate

propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate (PubChem CID 174868664) has the molecular formula C13H28O5SSi and a molecular weight of 324.52 g/mol. Its IUPAC name is propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namepropane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
PubChem CID174868664
Molecular FormulaC13H28O5SSi
Molecular Weight324.52 g/mol
Exact Mass324.14
IUPAC Namepropane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](OC)(OC)OC.CCCS
InChIInChI=1S/C10H20O5Si.C3H8S/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-2-3-4/h1,6-8H2,2-5H3;4H,2-3H2,1H3
InChIKeyRPUJKCYEMNAXCB-UHFFFAOYSA-N
XLogP2.70
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

azane;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 174919252
3-[dimethoxy(propoxy)silyl]propyl 2-methylprop-2-enoate
CID 59762876
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
12-[dimethoxy(propoxy)silyl]dodecyl 2-methylprop-2-enoate
CID 23199559
3-[dimethoxy(3-methylbut-3-enoxy)silyl]propyl 2-methylprop-2-enoate
CID 174924853
3-sulfanylpropyl 2-methylprop-2-enoate
CID 10034892
sulfane;3-sulfanylpropyl 2-methylprop-2-enoate
CID 175403752
3-(hydroxy-methoxy-methylsilyl)propyl 2-methylprop-2-enoate
CID 140965642
3-[dimethyl(propyl)silyl]propyl 2-methylprop-2-enoate
CID 139977940
9-tripropoxysilylnonyl 2-methylprop-2-enoate
CID 170637686
4-[methoxy(dipropyl)silyl]butyl 2-methylprop-2-enoate
CID 140668251
[butyl(dimethoxy)silyl] 2-methylprop-2-enoate
CID 87481263

Frequently Asked Questions

What is the IUPAC name of propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The IUPAC name of propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate (CID 174868664) is propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](OC)(OC)OC.CCCS.
What is the InChIKey of propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The InChIKey is RPUJKCYEMNAXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si.C3H8S/c1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-2-3-4/h1,6-8H2,2-5H3;4H,2-3H2,1H3.
What are the key properties of propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 324.52 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1-thiol;3-trimethoxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 174868664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).