4-methylpentoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane

C21H27F3O2Si — CID 91733056

IUPAC4-methylpentoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
SMILESCC(C)CCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27F3O2Si/c1-17(2)11-10-16-25-27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-18(3)21(22,23)24/h4-9,12-15,17-18H,10-11,16H2,1-3H3
InChIKeyGZPCJXNVFLGWTO-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.66
Rot. Bonds9

About 4-methylpentoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane

4-methylpentoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane (PubChem CID 91733056) has the molecular formula C21H27F3O2Si and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-methylpentoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane.

Molecular Properties

Compound Name4-methylpentoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
PubChem CID91733056
Molecular FormulaC21H27F3O2Si
Molecular Weight396.53 g/mol
Exact Mass396.17
IUPAC Name4-methylpentoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
SMILESCC(C)CCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27F3O2Si/c1-17(2)11-10-16-25-27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-18(3)21(22,23)24/h4-9,12-15,17-18H,10-11,16H2,1-3H3
InChIKeyGZPCJXNVFLGWTO-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.66
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 4-methylpentoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The IUPAC name of 4-methylpentoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane (CID 91733056) is 4-methylpentoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane.
What is the SMILES notation for 4-methylpentoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The canonical SMILES for 4-methylpentoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane is CC(C)CCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-methylpentoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The InChIKey is GZPCJXNVFLGWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3O2Si/c1-17(2)11-10-16-25-27(19-12-6-4-7-13-19,20-14-8-5-9-15-20)26-18(3)21(22,23)24/h4-9,12-15,17-18H,10-11,16H2,1-3H3.
What are the key properties of 4-methylpentoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
4-methylpentoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane has a molecular weight of 396.53 g/mol, XLogP of 4.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane is sourced from PubChem (CID 91733056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).