4-(ethylsulfinylmethyl)-2,2-dimethyl-1,3,2-dioxasilolane

C7H16O3SSi — CID 71149013

IUPAC4-(ethylsulfinylmethyl)-2,2-dimethyl-1,3,2-dioxasilolane
SMILESCCS(=O)CC1CO[Si](C)(C)O1
InChIInChI=1S/C7H16O3SSi/c1-4-11(8)6-7-5-9-12(2,3)10-7/h7H,4-6H2,1-3H3
InChIKeyGGKNYNJQZGGBLO-UHFFFAOYSA-N
MW208.35 g/mol
LogP0.87
Rot. Bonds3

About 4-(ethylsulfinylmethyl)-2,2-dimethyl-1,3,2-dioxasilolane

4-(ethylsulfinylmethyl)-2,2-dimethyl-1,3,2-dioxasilolane (PubChem CID 71149013) has the molecular formula C7H16O3SSi and a molecular weight of 208.35 g/mol. Its IUPAC name is 4-(ethylsulfinylmethyl)-2,2-dimethyl-1,3,2-dioxasilolane.

Molecular Properties

Compound Name4-(ethylsulfinylmethyl)-2,2-dimethyl-1,3,2-dioxasilolane
PubChem CID71149013
Molecular FormulaC7H16O3SSi
Molecular Weight208.35 g/mol
Exact Mass208.06
IUPAC Name4-(ethylsulfinylmethyl)-2,2-dimethyl-1,3,2-dioxasilolane
SMILESCCS(=O)CC1CO[Si](C)(C)O1
InChIInChI=1S/C7H16O3SSi/c1-4-11(8)6-7-5-9-12(2,3)10-7/h7H,4-6H2,1-3H3
InChIKeyGGKNYNJQZGGBLO-UHFFFAOYSA-N
XLogP0.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfinylmethyl)-2,2-dimethyl-1,3,2-dioxasilolane?
The IUPAC name of 4-(ethylsulfinylmethyl)-2,2-dimethyl-1,3,2-dioxasilolane (CID 71149013) is 4-(ethylsulfinylmethyl)-2,2-dimethyl-1,3,2-dioxasilolane.
What is the SMILES notation for 4-(ethylsulfinylmethyl)-2,2-dimethyl-1,3,2-dioxasilolane?
The canonical SMILES for 4-(ethylsulfinylmethyl)-2,2-dimethyl-1,3,2-dioxasilolane is CCS(=O)CC1CO[Si](C)(C)O1.
What is the InChIKey of 4-(ethylsulfinylmethyl)-2,2-dimethyl-1,3,2-dioxasilolane?
The InChIKey is GGKNYNJQZGGBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3SSi/c1-4-11(8)6-7-5-9-12(2,3)10-7/h7H,4-6H2,1-3H3.
What are the key properties of 4-(ethylsulfinylmethyl)-2,2-dimethyl-1,3,2-dioxasilolane?
4-(ethylsulfinylmethyl)-2,2-dimethyl-1,3,2-dioxasilolane has a molecular weight of 208.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfinylmethyl)-2,2-dimethyl-1,3,2-dioxasilolane is sourced from PubChem (CID 71149013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).