3-methylsulfanyloxysilylbutyl prop-2-enoate

C8H16O3SSi — CID 123666371

IUPAC3-methylsulfanyloxysilylbutyl prop-2-enoate
SMILESC=CC(=O)OCCC(C)[SiH2]OSC
InChIInChI=1S/C8H16O3SSi/c1-4-8(9)10-6-5-7(2)13-11-12-3/h4,7H,1,5-6,13H2,2-3H3
InChIKeyIJFNUOMHYNKJAW-UHFFFAOYSA-N
MW220.37 g/mol
LogP1.29
Rot. Bonds7

About 3-methylsulfanyloxysilylbutyl prop-2-enoate

3-methylsulfanyloxysilylbutyl prop-2-enoate (PubChem CID 123666371) has the molecular formula C8H16O3SSi and a molecular weight of 220.37 g/mol. Its IUPAC name is 3-methylsulfanyloxysilylbutyl prop-2-enoate.

Molecular Properties

Compound Name3-methylsulfanyloxysilylbutyl prop-2-enoate
PubChem CID123666371
Molecular FormulaC8H16O3SSi
Molecular Weight220.37 g/mol
Exact Mass220.06
IUPAC Name3-methylsulfanyloxysilylbutyl prop-2-enoate
SMILESC=CC(=O)OCCC(C)[SiH2]OSC
InChIInChI=1S/C8H16O3SSi/c1-4-8(9)10-6-5-7(2)13-11-12-3/h4,7H,1,5-6,13H2,2-3H3
InChIKeyIJFNUOMHYNKJAW-UHFFFAOYSA-N
XLogP1.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.37
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4,4-trimethylpentyl prop-2-enoate
CID 151450744
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
2-propan-2-ylsulfanylethyl prop-2-enoate
CID 58422252
(3-chloro-4-hydroxybutyl) prop-2-enoate
CID 88836729
ethyl 2-methyl-4-prop-2-enoyloxybutanoate
CID 59157368
3-(2-prop-2-enoyloxyethyl)hexyl prop-2-enoate
CID 19016961
(4-hydroxy-3-methyl-4-prop-2-enoyloxybutyl) prop-2-enoate
CID 19429006
(6-hydroxy-3,4,5-trimethylhexyl) prop-2-enoate
CID 54169332
2-(2-aminopropoxy)ethyl prop-2-enoate
CID 54040503
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-prop-2-enoyloxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 102116747
3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
CID 162239045
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyloxysilylbutyl prop-2-enoate?
The IUPAC name of 3-methylsulfanyloxysilylbutyl prop-2-enoate (CID 123666371) is 3-methylsulfanyloxysilylbutyl prop-2-enoate.
What is the SMILES notation for 3-methylsulfanyloxysilylbutyl prop-2-enoate?
The canonical SMILES for 3-methylsulfanyloxysilylbutyl prop-2-enoate is C=CC(=O)OCCC(C)[SiH2]OSC.
What is the InChIKey of 3-methylsulfanyloxysilylbutyl prop-2-enoate?
The InChIKey is IJFNUOMHYNKJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3SSi/c1-4-8(9)10-6-5-7(2)13-11-12-3/h4,7H,1,5-6,13H2,2-3H3.
What are the key properties of 3-methylsulfanyloxysilylbutyl prop-2-enoate?
3-methylsulfanyloxysilylbutyl prop-2-enoate has a molecular weight of 220.37 g/mol, XLogP of 1.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyloxysilylbutyl prop-2-enoate is sourced from PubChem (CID 123666371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).