tri(butan-2-yloxy)-(3,3,3-trifluoropropyl)silane

C15H31F3O3Si — CID 23160477

IUPACtri(butan-2-yloxy)-(3,3,3-trifluoropropyl)silane
SMILESCCC(C)O[Si](CCC(F)(F)F)(OC(C)CC)OC(C)CC
InChIInChI=1S/C15H31F3O3Si/c1-7-12(4)19-22(20-13(5)8-2,21-14(6)9-3)11-10-15(16,17)18/h12-14H,7-11H2,1-6H3
InChIKeySLWJCUBAEHHRME-UHFFFAOYSA-N
MW344.49 g/mol
LogP5.32
Rot. Bonds11

About tri(butan-2-yloxy)-(3,3,3-trifluoropropyl)silane

tri(butan-2-yloxy)-(3,3,3-trifluoropropyl)silane (PubChem CID 23160477) has the molecular formula C15H31F3O3Si and a molecular weight of 344.49 g/mol. Its IUPAC name is tri(butan-2-yloxy)-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Nametri(butan-2-yloxy)-(3,3,3-trifluoropropyl)silane
PubChem CID23160477
Molecular FormulaC15H31F3O3Si
Molecular Weight344.49 g/mol
Exact Mass344.20
IUPAC Nametri(butan-2-yloxy)-(3,3,3-trifluoropropyl)silane
SMILESCCC(C)O[Si](CCC(F)(F)F)(OC(C)CC)OC(C)CC
InChIInChI=1S/C15H31F3O3Si/c1-7-12(4)19-22(20-13(5)8-2,21-14(6)9-3)11-10-15(16,17)18/h12-14H,7-11H2,1-6H3
InChIKeySLWJCUBAEHHRME-UHFFFAOYSA-N
XLogP5.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.49
LogP ≤ 55.32
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 tri(butan-2-yloxy)-(3,3,3-trifluoropropyl)silane?
The IUPAC name of tri(butan-2-yloxy)-(3,3,3-trifluoropropyl)silane (CID 23160477) is tri(butan-2-yloxy)-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for tri(butan-2-yloxy)-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for tri(butan-2-yloxy)-(3,3,3-trifluoropropyl)silane is CCC(C)O[Si](CCC(F)(F)F)(OC(C)CC)OC(C)CC.
What is the InChIKey of tri(butan-2-yloxy)-(3,3,3-trifluoropropyl)silane?
The InChIKey is SLWJCUBAEHHRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F3O3Si/c1-7-12(4)19-22(20-13(5)8-2,21-14(6)9-3)11-10-15(16,17)18/h12-14H,7-11H2,1-6H3.
What are the key properties of tri(butan-2-yloxy)-(3,3,3-trifluoropropyl)silane?
tri(butan-2-yloxy)-(3,3,3-trifluoropropyl)silane has a molecular weight of 344.49 g/mol, XLogP of 5.32, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(butan-2-yloxy)-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 23160477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).