icosyl-dimethyl-phenylsilane

C28H52Si — CID 91054385

IUPACicosyl-dimethyl-phenylsilane
SMILESCCCCCCCCCCCCCCCCCCCC[Si](C)(C)c1ccccc1
InChIInChI=1S/C28H52Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-29(2,3)28-25-22-21-23-26-28/h21-23,25-26H,4-20,24,27H2,1-3H3
InChIKeyTTZPGBLMKMJVMX-UHFFFAOYSA-N
MW416.81 g/mol
LogP9.64
Rot. Bonds20

About icosyl-dimethyl-phenylsilane

icosyl-dimethyl-phenylsilane (PubChem CID 91054385) has the molecular formula C28H52Si and a molecular weight of 416.81 g/mol. Its IUPAC name is icosyl-dimethyl-phenylsilane.

Molecular Properties

Compound Nameicosyl-dimethyl-phenylsilane
PubChem CID91054385
Molecular FormulaC28H52Si
Molecular Weight416.81 g/mol
Exact Mass416.38
IUPAC Nameicosyl-dimethyl-phenylsilane
SMILESCCCCCCCCCCCCCCCCCCCC[Si](C)(C)c1ccccc1
InChIInChI=1S/C28H52Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-29(2,3)28-25-22-21-23-26-28/h21-23,25-26H,4-20,24,27H2,1-3H3
InChIKeyTTZPGBLMKMJVMX-UHFFFAOYSA-N
XLogP9.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.81
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dichloro-heptyl-phenylsilane
CID 101161411
decyl-methyl-diphenylsilane
CID 15259590
dihexyl-methyl-phenylsilane
CID 71342172
dimethyl-(3-methylidenenonyl)-phenylsilane
CID 66553844
[dihexyl(phenyl)silyl]-dihexyl-phenylsilane
CID 12059876
heptadecyl(triphenyl)silane
CID 4520075
iodo-methyl-octyl-phenylsilane
CID 154486879
chloro-methyl-octyl-phenylsilane
CID 66989770
dimethyl-octyl-pyridin-3-ylsilane
CID 11196014
2-[dimethyl(phenyl)silyl]ethyl-dimethyl-phenylsilane
CID 585640
chloro-hexyl-iodo-phenylsilane
CID 154486835
(4-ethoxyphenyl)-heptyl-dimethylsilane
CID 67899813

Frequently Asked Questions

What is the IUPAC name of icosyl-dimethyl-phenylsilane?
The IUPAC name of icosyl-dimethyl-phenylsilane (CID 91054385) is icosyl-dimethyl-phenylsilane.
What is the SMILES notation for icosyl-dimethyl-phenylsilane?
The canonical SMILES for icosyl-dimethyl-phenylsilane is CCCCCCCCCCCCCCCCCCCC[Si](C)(C)c1ccccc1.
What is the InChIKey of icosyl-dimethyl-phenylsilane?
The InChIKey is TTZPGBLMKMJVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-29(2,3)28-25-22-21-23-26-28/h21-23,25-26H,4-20,24,27H2,1-3H3.
What are the key properties of icosyl-dimethyl-phenylsilane?
icosyl-dimethyl-phenylsilane has a molecular weight of 416.81 g/mol, XLogP of 9.64, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for icosyl-dimethyl-phenylsilane is sourced from PubChem (CID 91054385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).