1,1,2-trimethoxy-2-propyl-3-(trifluoromethoxy)silinane

C12H23F3O4Si — CID 174902298

IUPAC1,1,2-trimethoxy-2-propyl-3-(trifluoromethoxy)silinane
SMILESCCCC1(OC)C(OC(F)(F)F)CCC[Si]1(OC)OC
InChIInChI=1S/C12H23F3O4Si/c1-5-8-11(16-2)10(19-12(13,14)15)7-6-9-20(11,17-3)18-4/h10H,5-9H2,1-4H3
InChIKeyBLOABAJXBASYOE-UHFFFAOYSA-N
MW316.39 g/mol
LogP3.14
Rot. Bonds6

About 1,1,2-trimethoxy-2-propyl-3-(trifluoromethoxy)silinane

1,1,2-trimethoxy-2-propyl-3-(trifluoromethoxy)silinane (PubChem CID 174902298) has the molecular formula C12H23F3O4Si and a molecular weight of 316.39 g/mol. Its IUPAC name is 1,1,2-trimethoxy-2-propyl-3-(trifluoromethoxy)silinane.

Molecular Properties

Compound Name1,1,2-trimethoxy-2-propyl-3-(trifluoromethoxy)silinane
PubChem CID174902298
Molecular FormulaC12H23F3O4Si
Molecular Weight316.39 g/mol
Exact Mass316.13
IUPAC Name1,1,2-trimethoxy-2-propyl-3-(trifluoromethoxy)silinane
SMILESCCCC1(OC)C(OC(F)(F)F)CCC[Si]1(OC)OC
InChIInChI=1S/C12H23F3O4Si/c1-5-8-11(16-2)10(19-12(13,14)15)7-6-9-20(11,17-3)18-4/h10H,5-9H2,1-4H3
InChIKeyBLOABAJXBASYOE-UHFFFAOYSA-N
XLogP3.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2-(1,1,2,2,2-pentafluoroethoxy)oxasilinane
CID 19688934
2,2-Dimethyl-6-(3,4,4-trifluorobutyl)oxasilinane
CID 70183797
2,2-Dimethyl-6-(4,4,4-trifluorobutyl)oxasilinane
CID 173600801
1,1,2-Triethoxy-2-(3,3,3-trifluoropropyl)silinane
CID 174600475
1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propane;1,1,2-triethoxy-2-ethylsilinane
CID 174685673
3,3,4-Trifluoro-1,1,2-trimethoxy-2-propylsilinane
CID 174763210
1,1,2-Trimethoxy-2-(3,3,3-trifluoropropyl)silinane
CID 174815092
3,3,4,4,5,5-Hexafluoro-1,1,2-trimethoxy-2-propylsilinane
CID 175292169
3,3,4,4,5,6-Hexafluoro-1,1,2-trimethoxy-2-propylsilinane
CID 175292170
3-Butoxy-1,1,2-trimethoxy-2-propylsilinane
CID 174591455
1,1,2-Trimethoxy-3-propoxy-2-propylsilinane
CID 174684836
1,1,2-Triethoxy-2-ethyl-3-methoxysilinane
CID 174819741

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethoxy-2-propyl-3-(trifluoromethoxy)silinane?
The IUPAC name of 1,1,2-trimethoxy-2-propyl-3-(trifluoromethoxy)silinane (CID 174902298) is 1,1,2-trimethoxy-2-propyl-3-(trifluoromethoxy)silinane.
What is the SMILES notation for 1,1,2-trimethoxy-2-propyl-3-(trifluoromethoxy)silinane?
The canonical SMILES for 1,1,2-trimethoxy-2-propyl-3-(trifluoromethoxy)silinane is CCCC1(OC)C(OC(F)(F)F)CCC[Si]1(OC)OC.
What is the InChIKey of 1,1,2-trimethoxy-2-propyl-3-(trifluoromethoxy)silinane?
The InChIKey is BLOABAJXBASYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O4Si/c1-5-8-11(16-2)10(19-12(13,14)15)7-6-9-20(11,17-3)18-4/h10H,5-9H2,1-4H3.
What are the key properties of 1,1,2-trimethoxy-2-propyl-3-(trifluoromethoxy)silinane?
1,1,2-trimethoxy-2-propyl-3-(trifluoromethoxy)silinane has a molecular weight of 316.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxy-2-propyl-3-(trifluoromethoxy)silinane is sourced from PubChem (CID 174902298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).