methane;thiophen-3-ylmethyl 2-trichlorosilylacetate

C11H23Cl3O2SSi — CID 158645029

IUPACmethane;thiophen-3-ylmethyl 2-trichlorosilylacetate
SMILESC.C.C.C.O=C(C[Si](Cl)(Cl)Cl)OCc1ccsc1
InChIInChI=1S/C7H7Cl3O2SSi.4CH4/c8-14(9,10)5-7(11)12-3-6-1-2-13-4-6;;;;/h1-2,4H,3,5H2;4*1H4
InChIKeyIAVXAIPLZUNWRH-UHFFFAOYSA-N
MW353.81 g/mol
LogP5.99
Rot. Bonds4

About methane;thiophen-3-ylmethyl 2-trichlorosilylacetate

methane;thiophen-3-ylmethyl 2-trichlorosilylacetate (PubChem CID 158645029) has the molecular formula C11H23Cl3O2SSi and a molecular weight of 353.81 g/mol. Its IUPAC name is methane;thiophen-3-ylmethyl 2-trichlorosilylacetate.

Molecular Properties

Compound Namemethane;thiophen-3-ylmethyl 2-trichlorosilylacetate
PubChem CID158645029
Molecular FormulaC11H23Cl3O2SSi
Molecular Weight353.81 g/mol
Exact Mass352.03
IUPAC Namemethane;thiophen-3-ylmethyl 2-trichlorosilylacetate
SMILESC.C.C.C.O=C(C[Si](Cl)(Cl)Cl)OCc1ccsc1
InChIInChI=1S/C7H7Cl3O2SSi.4CH4/c8-14(9,10)5-7(11)12-3-6-1-2-13-4-6;;;;/h1-2,4H,3,5H2;4*1H4
InChIKeyIAVXAIPLZUNWRH-UHFFFAOYSA-N
XLogP5.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.81
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;thiophen-3-ylmethyl 2-trichlorosilylacetate?
The IUPAC name of methane;thiophen-3-ylmethyl 2-trichlorosilylacetate (CID 158645029) is methane;thiophen-3-ylmethyl 2-trichlorosilylacetate.
What is the SMILES notation for methane;thiophen-3-ylmethyl 2-trichlorosilylacetate?
The canonical SMILES for methane;thiophen-3-ylmethyl 2-trichlorosilylacetate is C.C.C.C.O=C(C[Si](Cl)(Cl)Cl)OCc1ccsc1.
What is the InChIKey of methane;thiophen-3-ylmethyl 2-trichlorosilylacetate?
The InChIKey is IAVXAIPLZUNWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl3O2SSi.4CH4/c8-14(9,10)5-7(11)12-3-6-1-2-13-4-6;;;;/h1-2,4H,3,5H2;4*1H4.
What are the key properties of methane;thiophen-3-ylmethyl 2-trichlorosilylacetate?
methane;thiophen-3-ylmethyl 2-trichlorosilylacetate has a molecular weight of 353.81 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;thiophen-3-ylmethyl 2-trichlorosilylacetate is sourced from PubChem (CID 158645029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).