5,5-dimethoxy-1,5-thiasilocane

C8H18O2SSi — CID 15584565

IUPAC5,5-dimethoxy-1,5-thiasilocane
SMILESCO[Si]1(OC)CCCSCCC1
InChIInChI=1S/C8H18O2SSi/c1-9-12(10-2)7-3-5-11-6-4-8-12/h3-8H2,1-2H3
InChIKeyDXFDGSGYWNWHHT-UHFFFAOYSA-N
MW206.38 g/mol
LogP2.25
Rot. Bonds2

About 5,5-dimethoxy-1,5-thiasilocane

5,5-dimethoxy-1,5-thiasilocane (PubChem CID 15584565) has the molecular formula C8H18O2SSi and a molecular weight of 206.38 g/mol. Its IUPAC name is 5,5-dimethoxy-1,5-thiasilocane.

Molecular Properties

Compound Name5,5-dimethoxy-1,5-thiasilocane
PubChem CID15584565
Molecular FormulaC8H18O2SSi
Molecular Weight206.38 g/mol
Exact Mass206.08
IUPAC Name5,5-dimethoxy-1,5-thiasilocane
SMILESCO[Si]1(OC)CCCSCCC1
InChIInChI=1S/C8H18O2SSi/c1-9-12(10-2)7-3-5-11-6-4-8-12/h3-8H2,1-2H3
InChIKeyDXFDGSGYWNWHHT-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 52.25
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 5,5-dimethoxy-1,5-thiasilocane?
The IUPAC name of 5,5-dimethoxy-1,5-thiasilocane (CID 15584565) is 5,5-dimethoxy-1,5-thiasilocane.
What is the SMILES notation for 5,5-dimethoxy-1,5-thiasilocane?
The canonical SMILES for 5,5-dimethoxy-1,5-thiasilocane is CO[Si]1(OC)CCCSCCC1.
What is the InChIKey of 5,5-dimethoxy-1,5-thiasilocane?
The InChIKey is DXFDGSGYWNWHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2SSi/c1-9-12(10-2)7-3-5-11-6-4-8-12/h3-8H2,1-2H3.
What are the key properties of 5,5-dimethoxy-1,5-thiasilocane?
5,5-dimethoxy-1,5-thiasilocane has a molecular weight of 206.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethoxy-1,5-thiasilocane is sourced from PubChem (CID 15584565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).