[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane

C28H56O3Si3 — CID 155609338

IUPAC[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
SMILESCCCCCCCCCC(CC)[Si](C)(C)c1ccc([Si](C)(C)CCC[Si](OC)(OC)OC)cc1
InChIInChI=1S/C28H56O3Si3/c1-10-12-13-14-15-16-17-19-26(11-2)33(8,9)28-22-20-27(21-23-28)32(6,7)24-18-25-34(29-3,30-4)31-5/h20-23,26H,10-19,24-25H2,1-9H3
InChIKeyGWJRUHHPUOXFRD-UHFFFAOYSA-N
MW525.01 g/mol
LogP7.71
Rot. Bonds19

About [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane

[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane (PubChem CID 155609338) has the molecular formula C28H56O3Si3 and a molecular weight of 525.01 g/mol. Its IUPAC name is [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane.

Molecular Properties

Compound Name[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
PubChem CID155609338
Molecular FormulaC28H56O3Si3
Molecular Weight525.01 g/mol
Exact Mass524.35
IUPAC Name[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
SMILESCCCCCCCCCC(CC)[Si](C)(C)c1ccc([Si](C)(C)CCC[Si](OC)(OC)OC)cc1
InChIInChI=1S/C28H56O3Si3/c1-10-12-13-14-15-16-17-19-26(11-2)33(8,9)28-22-20-27(21-23-28)32(6,7)24-18-25-34(29-3,30-4)31-5/h20-23,26H,10-19,24-25H2,1-9H3
InChIKeyGWJRUHHPUOXFRD-UHFFFAOYSA-N
XLogP7.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.01
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
CID 155609345
carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane
CID 162048777
(4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane
CID 155609324
dimethyl-(3-trimethoxysilylpropyl)-(4-trimethylsilylphenyl)silane
CID 156627225
[4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane
CID 155609330
[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane
CID 155643997
(4-ethoxyphenyl)-heptyl-dimethylsilane
CID 67899813
trimethoxy(pentacontyl)silane
CID 87930715
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
hexacosyl(trimethoxy)silane
CID 150262252
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
dodecyl(trimethoxy)silane;octane
CID 174570785

Frequently Asked Questions

What is the IUPAC name of [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane?
The IUPAC name of [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane (CID 155609338) is [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane.
What is the SMILES notation for [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane?
The canonical SMILES for [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane is CCCCCCCCCC(CC)[Si](C)(C)c1ccc([Si](C)(C)CCC[Si](OC)(OC)OC)cc1.
What is the InChIKey of [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane?
The InChIKey is GWJRUHHPUOXFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O3Si3/c1-10-12-13-14-15-16-17-19-26(11-2)33(8,9)28-22-20-27(21-23-28)32(6,7)24-18-25-34(29-3,30-4)31-5/h20-23,26H,10-19,24-25H2,1-9H3.
What are the key properties of [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane?
[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane has a molecular weight of 525.01 g/mol, XLogP of 7.71, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane is sourced from PubChem (CID 155609338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).