[2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane

C26H35F3O2Si2 — CID 173177427

IUPAC[2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane
SMILESC[SiH](CCC(F)(F)F)C1(C2([SiH](c3ccccc3)c3ccccc3)CCCCO2)CCCCO1
InChIInChI=1S/C26H35F3O2Si2/c1-32(21-18-26(27,28)29)24(16-8-10-19-30-24)25(17-9-11-20-31-25)33(22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-7,12-15,32-33H,8-11,16-21H2,1H3
InChIKeyGTVPJSDRILIKCB-UHFFFAOYSA-N
MW492.73 g/mol
LogP4.79
Rot. Bonds7

About [2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane

[2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane (PubChem CID 173177427) has the molecular formula C26H35F3O2Si2 and a molecular weight of 492.73 g/mol. Its IUPAC name is [2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Name[2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane
PubChem CID173177427
Molecular FormulaC26H35F3O2Si2
Molecular Weight492.73 g/mol
Exact Mass492.21
IUPAC Name[2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane
SMILESC[SiH](CCC(F)(F)F)C1(C2([SiH](c3ccccc3)c3ccccc3)CCCCO2)CCCCO1
InChIInChI=1S/C26H35F3O2Si2/c1-32(21-18-26(27,28)29)24(16-8-10-19-30-24)25(17-9-11-20-31-25)33(22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-7,12-15,32-33H,8-11,16-21H2,1H3
InChIKeyGTVPJSDRILIKCB-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.73
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane?
The IUPAC name of [2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane (CID 173177427) is [2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for [2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for [2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane is C[SiH](CCC(F)(F)F)C1(C2([SiH](c3ccccc3)c3ccccc3)CCCCO2)CCCCO1.
What is the InChIKey of [2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane?
The InChIKey is GTVPJSDRILIKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35F3O2Si2/c1-32(21-18-26(27,28)29)24(16-8-10-19-30-24)25(17-9-11-20-31-25)33(22-12-4-2-5-13-22)23-14-6-3-7-15-23/h2-7,12-15,32-33H,8-11,16-21H2,1H3.
What are the key properties of [2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane?
[2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane has a molecular weight of 492.73 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-diphenylsilyloxan-2-yl)oxan-2-yl]-methyl-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 173177427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).