3,3-dimethyldioxasiletane

C3H8O2Si — CID 141498516

IUPAC3,3-dimethyldioxasiletane
SMILESC[Si]1(C)COO1
InChIInChI=1S/C3H8O2Si/c1-6(2)3-4-5-6/h3H2,1-2H3
InChIKeyMXTKDZCGONEDSV-UHFFFAOYSA-N
MW104.18 g/mol
LogP0.69
Rot. Bonds

About 3,3-dimethyldioxasiletane

3,3-dimethyldioxasiletane (PubChem CID 141498516) has the molecular formula C3H8O2Si and a molecular weight of 104.18 g/mol. Its IUPAC name is 3,3-dimethyldioxasiletane.

Molecular Properties

Compound Name3,3-dimethyldioxasiletane
PubChem CID141498516
Molecular FormulaC3H8O2Si
Molecular Weight104.18 g/mol
Exact Mass104.03
IUPAC Name3,3-dimethyldioxasiletane
SMILESC[Si]1(C)COO1
InChIInChI=1S/C3H8O2Si/c1-6(2)3-4-5-6/h3H2,1-2H3
InChIKeyMXTKDZCGONEDSV-UHFFFAOYSA-N
XLogP0.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,4,4,6,6-hexamethyl-1,2,4,6-oxatrisilinane
CID 608922
2,2,6,6-tetramethyl-1,5,2,6-dioxadisilocane
CID 12619896
2,2,9,9,11,11,18,18-octamethyl-1,10-dioxa-2,9,11,18-tetrasilacyclooctadecane
CID 18622259
2,2,4,4,6,6,8,8-octamethyl-1,2,4,6,8-oxatetrasilocane
CID 623763
1,6-dimethyl-1,6-disilabicyclo[4.4.4]tetradecane
CID 101130217
2,5-dimethoxy-2,5-dimethyl-1,4,2,5-dioxadisilinane
CID 71209359
2,2,5-trimethyl-1,4,2-dioxasilepane
CID 68812586
1,1-dimethylsilepane
CID 21335072
1,12-dimethyl-1,12-disilabicyclo[10.10.10]dotriacontane
CID 177476955
1,1,8,8-tetramethyl-1,8-disilacyclotetradecane
CID 177413493
19,19-dimethyl-6,12,18,20-tetraoxa-5,7,13,19-tetrasilatrispiro[4.1.47.1.413.35]icosane
CID 132514076
4,4-dichloro-2,2,6,6-tetramethyl-1,2,6,4-oxadisilastanninane
CID 14092702

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyldioxasiletane?
The IUPAC name of 3,3-dimethyldioxasiletane (CID 141498516) is 3,3-dimethyldioxasiletane.
What is the SMILES notation for 3,3-dimethyldioxasiletane?
The canonical SMILES for 3,3-dimethyldioxasiletane is C[Si]1(C)COO1.
What is the InChIKey of 3,3-dimethyldioxasiletane?
The InChIKey is MXTKDZCGONEDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2Si/c1-6(2)3-4-5-6/h3H2,1-2H3.
What are the key properties of 3,3-dimethyldioxasiletane?
3,3-dimethyldioxasiletane has a molecular weight of 104.18 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyldioxasiletane is sourced from PubChem (CID 141498516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).