[4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane

C35H62O3Si3 — CID 155609330

IUPAC[4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane
SMILESCCCCCCCCCCCC[Si](C)(C)c1ccc([Si](C)(C)CCc2ccc(CC[Si](OC)(OC)OC)cc2)cc1
InChIInChI=1S/C35H62O3Si3/c1-9-10-11-12-13-14-15-16-17-18-29-39(5,6)34-23-25-35(26-24-34)40(7,8)30-27-32-19-21-33(22-20-32)28-31-41(36-2,37-3)38-4/h19-26H,9-18,27-31H2,1-8H3
InChIKeyXOQBIBSJNWQQLX-UHFFFAOYSA-N
MW615.14 g/mol
LogP9.10
Rot. Bonds22

About [4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane

[4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane (PubChem CID 155609330) has the molecular formula C35H62O3Si3 and a molecular weight of 615.14 g/mol. Its IUPAC name is [4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane.

Molecular Properties

Compound Name[4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane
PubChem CID155609330
Molecular FormulaC35H62O3Si3
Molecular Weight615.14 g/mol
Exact Mass614.40
IUPAC Name[4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane
SMILESCCCCCCCCCCCC[Si](C)(C)c1ccc([Si](C)(C)CCc2ccc(CC[Si](OC)(OC)OC)cc2)cc1
InChIInChI=1S/C35H62O3Si3/c1-9-10-11-12-13-14-15-16-17-18-29-39(5,6)34-23-25-35(26-24-34)40(7,8)30-27-32-19-21-33(22-20-32)28-31-41(36-2,37-3)38-4/h19-26H,9-18,27-31H2,1-8H3
InChIKeyXOQBIBSJNWQQLX-UHFFFAOYSA-N
XLogP9.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.14
LogP ≤ 59.10
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'}

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Related Compounds

carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane
CID 162048777
(4-ethoxyphenyl)-heptyl-dimethylsilane
CID 67899813
icosyl-dimethyl-phenylsilane
CID 91054385
[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
CID 155609338
[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane
CID 155643997
dimethyl-(3-trimethoxysilylpropyl)-(4-trimethylsilylphenyl)silane
CID 156627225
tert-butyl-dimethyl-[4-(2-trimethoxysilylethyl)phenyl]silane
CID 152723809
[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
CID 155609345
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785

Frequently Asked Questions

What is the IUPAC name of [4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane?
The IUPAC name of [4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane (CID 155609330) is [4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane.
What is the SMILES notation for [4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane?
The canonical SMILES for [4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane is CCCCCCCCCCCC[Si](C)(C)c1ccc([Si](C)(C)CCc2ccc(CC[Si](OC)(OC)OC)cc2)cc1.
What is the InChIKey of [4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane?
The InChIKey is XOQBIBSJNWQQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H62O3Si3/c1-9-10-11-12-13-14-15-16-17-18-29-39(5,6)34-23-25-35(26-24-34)40(7,8)30-27-32-19-21-33(22-20-32)28-31-41(36-2,37-3)38-4/h19-26H,9-18,27-31H2,1-8H3.
What are the key properties of [4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane?
[4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane has a molecular weight of 615.14 g/mol, XLogP of 9.10, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane is sourced from PubChem (CID 155609330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).