2,2-diethoxythiasilinane

C8H18O2SSi — CID 163262157

IUPAC2,2-diethoxythiasilinane
SMILESCCO[Si]1(OCC)CCCCS1
InChIInChI=1S/C8H18O2SSi/c1-3-9-12(10-4-2)8-6-5-7-11-12/h3-8H2,1-2H3
InChIKeyQUVQAGOOPPNDHU-UHFFFAOYSA-N
MW206.38 g/mol
LogP2.53
Rot. Bonds4

About 2,2-diethoxythiasilinane

2,2-diethoxythiasilinane (PubChem CID 163262157) has the molecular formula C8H18O2SSi and a molecular weight of 206.38 g/mol. Its IUPAC name is 2,2-diethoxythiasilinane.

Molecular Properties

Compound Name2,2-diethoxythiasilinane
PubChem CID163262157
Molecular FormulaC8H18O2SSi
Molecular Weight206.38 g/mol
Exact Mass206.08
IUPAC Name2,2-diethoxythiasilinane
SMILESCCO[Si]1(OCC)CCCCS1
InChIInChI=1S/C8H18O2SSi/c1-3-9-12(10-4-2)8-6-5-7-11-12/h3-8H2,1-2H3
InChIKeyQUVQAGOOPPNDHU-UHFFFAOYSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(hydroxymethyl)propane-1,3-diol;3-[diethoxy(methyl)silyl]propane-1-thiol;2,2-diethoxythiasilolane;6,10,16,19-tetraoxa-4,15-dithia-5,11-disilatrispiro[4.2.2.411.28.25]nonadecane
CID 159752758
1,4-diethoxy-1,4-dimethyl-1,4-disilinane
CID 140867723
1,1,2,2-tetraethoxysilinane
CID 174248265
ethane;1,1,2-triethoxysilinane
CID 174650562
2,2-diethoxyoxasilirane
CID 140622651
3,3-diethoxyoxadisilinane
CID 173106077
1-ethyl-1-propan-2-yloxysilolane
CID 588618
1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine
CID 174841489
propane;thietane
CID 142048001
dithiane;ethane
CID 87555342
2-ethoxy-2-methyl-1,6,2-diazasilocane
CID 164778564
2-ethoxy-2,7-dimethyl-1,7,2-oxazasilonane
CID 140723491

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxythiasilinane?
The IUPAC name of 2,2-diethoxythiasilinane (CID 163262157) is 2,2-diethoxythiasilinane.
What is the SMILES notation for 2,2-diethoxythiasilinane?
The canonical SMILES for 2,2-diethoxythiasilinane is CCO[Si]1(OCC)CCCCS1.
What is the InChIKey of 2,2-diethoxythiasilinane?
The InChIKey is QUVQAGOOPPNDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2SSi/c1-3-9-12(10-4-2)8-6-5-7-11-12/h3-8H2,1-2H3.
What are the key properties of 2,2-diethoxythiasilinane?
2,2-diethoxythiasilinane has a molecular weight of 206.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxythiasilinane is sourced from PubChem (CID 163262157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).