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

C12H25F3O3Si — CID 23160484

IUPACtri(propan-2-yloxy)-(3,3,3-trifluoropropyl)silane
SMILESCC(C)O[Si](CCC(F)(F)F)(OC(C)C)OC(C)C
InChIInChI=1S/C12H25F3O3Si/c1-9(2)16-19(17-10(3)4,18-11(5)6)8-7-12(13,14)15/h9-11H,7-8H2,1-6H3
InChIKeyPCADGSDEFOMDNL-UHFFFAOYSA-N
MW302.41 g/mol
LogP4.15
Rot. Bonds8

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

tri(propan-2-yloxy)-(3,3,3-trifluoropropyl)silane (PubChem CID 23160484) has the molecular formula C12H25F3O3Si and a molecular weight of 302.41 g/mol. Its IUPAC name is tri(propan-2-yloxy)-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Nametri(propan-2-yloxy)-(3,3,3-trifluoropropyl)silane
PubChem CID23160484
Molecular FormulaC12H25F3O3Si
Molecular Weight302.41 g/mol
Exact Mass302.15
IUPAC Nametri(propan-2-yloxy)-(3,3,3-trifluoropropyl)silane
SMILESCC(C)O[Si](CCC(F)(F)F)(OC(C)C)OC(C)C
InChIInChI=1S/C12H25F3O3Si/c1-9(2)16-19(17-10(3)4,18-11(5)6)8-7-12(13,14)15/h9-11H,7-8H2,1-6H3
InChIKeyPCADGSDEFOMDNL-UHFFFAOYSA-N
XLogP4.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.15
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(propan-2-yloxy)-(3,3,3-trifluoropropyl)silane?
The IUPAC name of tri(propan-2-yloxy)-(3,3,3-trifluoropropyl)silane (CID 23160484) is tri(propan-2-yloxy)-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for tri(propan-2-yloxy)-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for tri(propan-2-yloxy)-(3,3,3-trifluoropropyl)silane is CC(C)O[Si](CCC(F)(F)F)(OC(C)C)OC(C)C.
What is the InChIKey of tri(propan-2-yloxy)-(3,3,3-trifluoropropyl)silane?
The InChIKey is PCADGSDEFOMDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3O3Si/c1-9(2)16-19(17-10(3)4,18-11(5)6)8-7-12(13,14)15/h9-11H,7-8H2,1-6H3.
What are the key properties of tri(propan-2-yloxy)-(3,3,3-trifluoropropyl)silane?
tri(propan-2-yloxy)-(3,3,3-trifluoropropyl)silane has a molecular weight of 302.41 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yloxy)-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 23160484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).