ethoxy-[4-[ethoxy-methyl-(3,3,3-trifluoropropyl)silyl]phenyl]-methyl-(3,3,3-trifluoropropyl)silane

C18H28F6O2Si2 — CID 141025609

IUPACethoxy-[4-[ethoxy-methyl-(3,3,3-trifluoropropyl)silyl]phenyl]-methyl-(3,3,3-trifluoropropyl)silane
SMILESCCO[Si](C)(CCC(F)(F)F)c1ccc([Si](C)(CCC(F)(F)F)OCC)cc1
InChIInChI=1S/C18H28F6O2Si2/c1-5-25-27(3,13-11-17(19,20)21)15-7-9-16(10-8-15)28(4,26-6-2)14-12-18(22,23)24/h7-10H,5-6,11-14H2,1-4H3
InChIKeyYIIQSUDQMUBWBO-UHFFFAOYSA-N
MW446.58 g/mol
LogP5.23
Rot. Bonds10

About ethoxy-[4-[ethoxy-methyl-(3,3,3-trifluoropropyl)silyl]phenyl]-methyl-(3,3,3-trifluoropropyl)silane

ethoxy-[4-[ethoxy-methyl-(3,3,3-trifluoropropyl)silyl]phenyl]-methyl-(3,3,3-trifluoropropyl)silane (PubChem CID 141025609) has the molecular formula C18H28F6O2Si2 and a molecular weight of 446.58 g/mol. Its IUPAC name is ethoxy-[4-[ethoxy-methyl-(3,3,3-trifluoropropyl)silyl]phenyl]-methyl-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Nameethoxy-[4-[ethoxy-methyl-(3,3,3-trifluoropropyl)silyl]phenyl]-methyl-(3,3,3-trifluoropropyl)silane
PubChem CID141025609
Molecular FormulaC18H28F6O2Si2
Molecular Weight446.58 g/mol
Exact Mass446.15
IUPAC Nameethoxy-[4-[ethoxy-methyl-(3,3,3-trifluoropropyl)silyl]phenyl]-methyl-(3,3,3-trifluoropropyl)silane
SMILESCCO[Si](C)(CCC(F)(F)F)c1ccc([Si](C)(CCC(F)(F)F)OCC)cc1
InChIInChI=1S/C18H28F6O2Si2/c1-5-25-27(3,13-11-17(19,20)21)15-7-9-16(10-8-15)28(4,26-6-2)14-12-18(22,23)24/h7-10H,5-6,11-14H2,1-4H3
InChIKeyYIIQSUDQMUBWBO-UHFFFAOYSA-N
XLogP5.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.58
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenyltriethoxysilane
CID 13075
Ethoxydimethylphenylsilane
CID 15770
Diphenyldiethoxysilane
CID 75705
Benzene, (diethoxymethylsilyl)-
CID 69891
Diphenylvinylethoxysilane
CID 87366
1,4-Bis(triethoxysilyl)benzene
CID 11495075
Disiloxane, 1,3-dimethoxy-1,3-dimethyl-1,3-diphenyl-
CID 21852551
1,4-Bis(methoxydimethylsilyl)benzene
CID 21900341
1-Dimethyl(phenyl)silyloxybutane
CID 606298
Tributoxy(phenyl)silane
CID 619663
Diphenyl-dipropoxy-silane
CID 14324871
Polysiloxanes, di-Me, di-Ph
CID 121233058

Frequently Asked Questions

What is the IUPAC name of ethoxy-[4-[ethoxy-methyl-(3,3,3-trifluoropropyl)silyl]phenyl]-methyl-(3,3,3-trifluoropropyl)silane?
The IUPAC name of ethoxy-[4-[ethoxy-methyl-(3,3,3-trifluoropropyl)silyl]phenyl]-methyl-(3,3,3-trifluoropropyl)silane (CID 141025609) is ethoxy-[4-[ethoxy-methyl-(3,3,3-trifluoropropyl)silyl]phenyl]-methyl-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for ethoxy-[4-[ethoxy-methyl-(3,3,3-trifluoropropyl)silyl]phenyl]-methyl-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for ethoxy-[4-[ethoxy-methyl-(3,3,3-trifluoropropyl)silyl]phenyl]-methyl-(3,3,3-trifluoropropyl)silane is CCO[Si](C)(CCC(F)(F)F)c1ccc([Si](C)(CCC(F)(F)F)OCC)cc1.
What is the InChIKey of ethoxy-[4-[ethoxy-methyl-(3,3,3-trifluoropropyl)silyl]phenyl]-methyl-(3,3,3-trifluoropropyl)silane?
The InChIKey is YIIQSUDQMUBWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F6O2Si2/c1-5-25-27(3,13-11-17(19,20)21)15-7-9-16(10-8-15)28(4,26-6-2)14-12-18(22,23)24/h7-10H,5-6,11-14H2,1-4H3.
What are the key properties of ethoxy-[4-[ethoxy-methyl-(3,3,3-trifluoropropyl)silyl]phenyl]-methyl-(3,3,3-trifluoropropyl)silane?
ethoxy-[4-[ethoxy-methyl-(3,3,3-trifluoropropyl)silyl]phenyl]-methyl-(3,3,3-trifluoropropyl)silane has a molecular weight of 446.58 g/mol, XLogP of 5.23, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[4-[ethoxy-methyl-(3,3,3-trifluoropropyl)silyl]phenyl]-methyl-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 141025609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).