4-methylpentoxy-diphenyl-(2,3,4-trifluorophenoxy)silane

C24H25F3O2Si — CID 91732748

IUPAC4-methylpentoxy-diphenyl-(2,3,4-trifluorophenoxy)silane
SMILESCC(C)CCCO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25F3O2Si/c1-18(2)10-9-17-28-30(19-11-5-3-6-12-19,20-13-7-4-8-14-20)29-22-16-15-21(25)23(26)24(22)27/h3-8,11-16,18H,9-10,17H2,1-2H3
InChIKeyNEFKEFANZJGFTQ-UHFFFAOYSA-N
MW430.54 g/mol
LogP5.19
Rot. Bonds9

About 4-methylpentoxy-diphenyl-(2,3,4-trifluorophenoxy)silane

4-methylpentoxy-diphenyl-(2,3,4-trifluorophenoxy)silane (PubChem CID 91732748) has the molecular formula C24H25F3O2Si and a molecular weight of 430.54 g/mol. Its IUPAC name is 4-methylpentoxy-diphenyl-(2,3,4-trifluorophenoxy)silane.

Molecular Properties

Compound Name4-methylpentoxy-diphenyl-(2,3,4-trifluorophenoxy)silane
PubChem CID91732748
Molecular FormulaC24H25F3O2Si
Molecular Weight430.54 g/mol
Exact Mass430.16
IUPAC Name4-methylpentoxy-diphenyl-(2,3,4-trifluorophenoxy)silane
SMILESCC(C)CCCO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25F3O2Si/c1-18(2)10-9-17-28-30(19-11-5-3-6-12-19,20-13-7-4-8-14-20)29-22-16-15-21(25)23(26)24(22)27/h3-8,11-16,18H,9-10,17H2,1-2H3
InChIKeyNEFKEFANZJGFTQ-UHFFFAOYSA-N
XLogP5.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.54
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Methyltriphenoxysilane
CID 629516
Triphenoxyvinylsilane
CID 87746
Silane, diphenyl(2-fluoro-3-trifluoromethylphenoxy)isobutoxy-
CID 91717505
Silane, diphenyl(2-fluoro-3-trifluoromethylphenoxy)propoxy-
CID 91717570
Silane, dimethyl(2-fluorophenyloxy)isobutoxy-
CID 91725380
Silane, diethyl(2-fluorophenoxy)isobutoxy-
CID 91729181
Silane, dimethyl(3,5-difluorophenoxy)isobutoxy-
CID 91730362
Silane, diphenyl(2-fluoro-3-trifluoromethylphenoxy)heptyloxy-
CID 91732648
Silane, diphenyl(2-fluoro-3-trifluoromethylphenoxy)octyloxy-
CID 91732649
Silane, diphenyl(2-fluoro-3-trifluoromethylphenoxy)nonyloxy-
CID 91732650
Silane, diphenyldecyloxy(2-fluoro-3-trifluoromethylphenoxy)-
CID 91732651
Silane, diphenyl(2-fluoro-3-trifluoromethylphenoxy)tetradecyloxy-
CID 91732652

Frequently Asked Questions

What is the IUPAC name of 4-methylpentoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
The IUPAC name of 4-methylpentoxy-diphenyl-(2,3,4-trifluorophenoxy)silane (CID 91732748) is 4-methylpentoxy-diphenyl-(2,3,4-trifluorophenoxy)silane.
What is the SMILES notation for 4-methylpentoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
The canonical SMILES for 4-methylpentoxy-diphenyl-(2,3,4-trifluorophenoxy)silane is CC(C)CCCO[Si](Oc1ccc(F)c(F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-methylpentoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
The InChIKey is NEFKEFANZJGFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3O2Si/c1-18(2)10-9-17-28-30(19-11-5-3-6-12-19,20-13-7-4-8-14-20)29-22-16-15-21(25)23(26)24(22)27/h3-8,11-16,18H,9-10,17H2,1-2H3.
What are the key properties of 4-methylpentoxy-diphenyl-(2,3,4-trifluorophenoxy)silane?
4-methylpentoxy-diphenyl-(2,3,4-trifluorophenoxy)silane has a molecular weight of 430.54 g/mol, XLogP of 5.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentoxy-diphenyl-(2,3,4-trifluorophenoxy)silane is sourced from PubChem (CID 91732748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).