carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane

C23H44O5Si3 — CID 162048777

IUPACcarbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane
SMILESCCCCCC[Si](C)(C)c1ccc([Si](C)(C)CCC[Si](OC)(OC)OC)cc1.O=C=O
InChIInChI=1S/C22H44O3Si3.CO2/c1-9-10-11-12-18-26(5,6)21-14-16-22(17-15-21)27(7,8)19-13-20-28(23-2,24-3)25-4;2-1-3/h14-17H,9-13,18-20H2,1-8H3;
InChIKeyYYGNRGCWSGJFEW-UHFFFAOYSA-N
MW484.86 g/mol
LogP4.78
Rot. Bonds14

About carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane

carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane (PubChem CID 162048777) has the molecular formula C23H44O5Si3 and a molecular weight of 484.86 g/mol. Its IUPAC name is carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane.

Molecular Properties

Compound Namecarbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane
PubChem CID162048777
Molecular FormulaC23H44O5Si3
Molecular Weight484.86 g/mol
Exact Mass484.25
IUPAC Namecarbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane
SMILESCCCCCC[Si](C)(C)c1ccc([Si](C)(C)CCC[Si](OC)(OC)OC)cc1.O=C=O
InChIInChI=1S/C22H44O3Si3.CO2/c1-9-10-11-12-18-26(5,6)21-14-16-22(17-15-21)27(7,8)19-13-20-28(23-2,24-3)25-4;2-1-3/h14-17H,9-13,18-20H2,1-8H3;
InChIKeyYYGNRGCWSGJFEW-UHFFFAOYSA-N
XLogP4.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.86
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane
CID 155609330
dimethyl-(3-trimethoxysilylpropyl)-(4-trimethylsilylphenyl)silane
CID 156627225
[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
CID 155609338
[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane
CID 155643997
trimethoxy(pentacontyl)silane
CID 87930715
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
(4-ethoxyphenyl)-heptyl-dimethylsilane
CID 67899813
icosyl-dimethyl-phenylsilane
CID 91054385
trimethoxy(undecyl)silane;hydrobromide
CID 172731268

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane?
The IUPAC name of carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane (CID 162048777) is carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane.
What is the SMILES notation for carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane?
The canonical SMILES for carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane is CCCCCC[Si](C)(C)c1ccc([Si](C)(C)CCC[Si](OC)(OC)OC)cc1.O=C=O.
What is the InChIKey of carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane?
The InChIKey is YYGNRGCWSGJFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O3Si3.CO2/c1-9-10-11-12-18-26(5,6)21-14-16-22(17-15-21)27(7,8)19-13-20-28(23-2,24-3)25-4;2-1-3/h14-17H,9-13,18-20H2,1-8H3;.
What are the key properties of carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane?
carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane has a molecular weight of 484.86 g/mol, XLogP of 4.78, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane is sourced from PubChem (CID 162048777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).