3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate

C9H18O5SSi — CID 142736749

IUPAC3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate
SMILESCO[Si](CCCOC(=O)C=CS)(OC)OC
InChIInChI=1S/C9H18O5SSi/c1-11-16(12-2,13-3)8-4-6-14-9(10)5-7-15/h5,7,15H,4,6,8H2,1-3H3
InChIKeyMVDFQOLICFJNIX-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.24
Rot. Bonds8

About 3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate

3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate (PubChem CID 142736749) has the molecular formula C9H18O5SSi and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate.

Molecular Properties

Compound Name3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate
PubChem CID142736749
Molecular FormulaC9H18O5SSi
Molecular Weight266.39 g/mol
Exact Mass266.06
IUPAC Name3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate
SMILESCO[Si](CCCOC(=O)C=CS)(OC)OC
InChIInChI=1S/C9H18O5SSi/c1-11-16(12-2,13-3)8-4-6-14-9(10)5-7-15/h5,7,15H,4,6,8H2,1-3H3
InChIKeyMVDFQOLICFJNIX-UHFFFAOYSA-N
XLogP1.24
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.24
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

hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769
bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate
CID 174981814
3-trimethoxysilylpropyl 3-methylpent-2-enoate
CID 141003616
1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate
CID 54485160
3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate
CID 57318763
3-[tris(2-methoxyethoxy)silyl]propyl but-2-enoate
CID 57295755
3-triacetyloxysilylpropyl but-2-enoate
CID 57008855

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate?
The IUPAC name of 3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate (CID 142736749) is 3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate.
What is the SMILES notation for 3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate?
The canonical SMILES for 3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate is CO[Si](CCCOC(=O)C=CS)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate?
The InChIKey is MVDFQOLICFJNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5SSi/c1-11-16(12-2,13-3)8-4-6-14-9(10)5-7-15/h5,7,15H,4,6,8H2,1-3H3.
What are the key properties of 3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate?
3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate has a molecular weight of 266.39 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate is sourced from PubChem (CID 142736749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).