diphenyl-(1,1,1-trifluoropropan-2-yloxy)-undecoxysilane

C26H37F3O2Si — CID 91733075

IUPACdiphenyl-(1,1,1-trifluoropropan-2-yloxy)-undecoxysilane
SMILESCCCCCCCCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37F3O2Si/c1-3-4-5-6-7-8-9-10-17-22-30-32(24-18-13-11-14-19-24,25-20-15-12-16-21-25)31-23(2)26(27,28)29/h11-16,18-21,23H,3-10,17,22H2,1-2H3
InChIKeyCLIXOKFSCZMPRL-UHFFFAOYSA-N
MW466.66 g/mol
LogP6.76
Rot. Bonds15

About diphenyl-(1,1,1-trifluoropropan-2-yloxy)-undecoxysilane

diphenyl-(1,1,1-trifluoropropan-2-yloxy)-undecoxysilane (PubChem CID 91733075) has the molecular formula C26H37F3O2Si and a molecular weight of 466.66 g/mol. Its IUPAC name is diphenyl-(1,1,1-trifluoropropan-2-yloxy)-undecoxysilane.

Molecular Properties

Compound Namediphenyl-(1,1,1-trifluoropropan-2-yloxy)-undecoxysilane
PubChem CID91733075
Molecular FormulaC26H37F3O2Si
Molecular Weight466.66 g/mol
Exact Mass466.25
IUPAC Namediphenyl-(1,1,1-trifluoropropan-2-yloxy)-undecoxysilane
SMILESCCCCCCCCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H37F3O2Si/c1-3-4-5-6-7-8-9-10-17-22-30-32(24-18-13-11-14-19-24,25-20-15-12-16-21-25)31-23(2)26(27,28)29/h11-16,18-21,23H,3-10,17,22H2,1-2H3
InChIKeyCLIXOKFSCZMPRL-UHFFFAOYSA-N
XLogP6.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.66
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-(1,1,1-trifluoropropan-2-yloxy)-undecoxysilane?
The IUPAC name of diphenyl-(1,1,1-trifluoropropan-2-yloxy)-undecoxysilane (CID 91733075) is diphenyl-(1,1,1-trifluoropropan-2-yloxy)-undecoxysilane.
What is the SMILES notation for diphenyl-(1,1,1-trifluoropropan-2-yloxy)-undecoxysilane?
The canonical SMILES for diphenyl-(1,1,1-trifluoropropan-2-yloxy)-undecoxysilane is CCCCCCCCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl-(1,1,1-trifluoropropan-2-yloxy)-undecoxysilane?
The InChIKey is CLIXOKFSCZMPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37F3O2Si/c1-3-4-5-6-7-8-9-10-17-22-30-32(24-18-13-11-14-19-24,25-20-15-12-16-21-25)31-23(2)26(27,28)29/h11-16,18-21,23H,3-10,17,22H2,1-2H3.
What are the key properties of diphenyl-(1,1,1-trifluoropropan-2-yloxy)-undecoxysilane?
diphenyl-(1,1,1-trifluoropropan-2-yloxy)-undecoxysilane has a molecular weight of 466.66 g/mol, XLogP of 6.76, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-(1,1,1-trifluoropropan-2-yloxy)-undecoxysilane is sourced from PubChem (CID 91733075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).