[propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate

C7H14O3SSi — CID 123869869

IUPAC[propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[SiH](CCC)OS
InChIInChI=1S/C7H14O3SSi/c1-4-5-12(10-11)9-7(8)6(2)3/h11-12H,2,4-5H2,1,3H3
InChIKeyNEOIOWFMIOCIOM-UHFFFAOYSA-N
MW206.34 g/mol
LogP1.60
Rot. Bonds5

About [propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate

[propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate (PubChem CID 123869869) has the molecular formula C7H14O3SSi and a molecular weight of 206.34 g/mol. Its IUPAC name is [propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate
PubChem CID123869869
Molecular FormulaC7H14O3SSi
Molecular Weight206.34 g/mol
Exact Mass206.04
IUPAC Name[propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O[SiH](CCC)OS
InChIInChI=1S/C7H14O3SSi/c1-4-5-12(10-11)9-7(8)6(2)3/h11-12H,2,4-5H2,1,3H3
InChIKeyNEOIOWFMIOCIOM-UHFFFAOYSA-N
XLogP1.60
TPSA35.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate?
The IUPAC name of [propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate (CID 123869869) is [propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate.
What is the SMILES notation for [propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate?
The canonical SMILES for [propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate is C=C(C)C(=O)O[SiH](CCC)OS.
What is the InChIKey of [propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate?
The InChIKey is NEOIOWFMIOCIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3SSi/c1-4-5-12(10-11)9-7(8)6(2)3/h11-12H,2,4-5H2,1,3H3.
What are the key properties of [propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate?
[propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate has a molecular weight of 206.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [propyl(sulfanyloxy)silyl] 2-methylprop-2-enoate is sourced from PubChem (CID 123869869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).