[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane

C27H54O3Si3 — CID 155609345

IUPAC[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
SMILESCCCCCCCCCC(CC)[Si](C)(C)c1ccc([Si](C)(C)CC[Si](OC)(OC)OC)cc1
InChIInChI=1S/C27H54O3Si3/c1-10-12-13-14-15-16-17-18-25(11-2)32(8,9)27-21-19-26(20-22-27)31(6,7)23-24-33(28-3,29-4)30-5/h19-22,25H,10-18,23-24H2,1-9H3
InChIKeyBNZNJQBELKCMGC-UHFFFAOYSA-N
MW510.98 g/mol
LogP7.32
Rot. Bonds18

About [4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane

[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane (PubChem CID 155609345) has the molecular formula C27H54O3Si3 and a molecular weight of 510.98 g/mol. Its IUPAC name is [4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane.

Molecular Properties

Compound Name[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
PubChem CID155609345
Molecular FormulaC27H54O3Si3
Molecular Weight510.98 g/mol
Exact Mass510.34
IUPAC Name[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
SMILESCCCCCCCCCC(CC)[Si](C)(C)c1ccc([Si](C)(C)CC[Si](OC)(OC)OC)cc1
InChIInChI=1S/C27H54O3Si3/c1-10-12-13-14-15-16-17-18-25(11-2)32(8,9)27-21-19-26(20-22-27)31(6,7)23-24-33(28-3,29-4)30-5/h19-22,25H,10-18,23-24H2,1-9H3
InChIKeyBNZNJQBELKCMGC-UHFFFAOYSA-N
XLogP7.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.98
LogP ≤ 57.32
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

[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
CID 155609338
(4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane
CID 155609324
carbon dioxide;[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-hexyl-dimethylsilane
CID 162048777
[4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane
CID 155609330
dimethyl-(3-trimethoxysilylpropyl)-(4-trimethylsilylphenyl)silane
CID 156627225
trimethoxy(1-trimethoxysilyloctan-2-yl)silane
CID 154069020
(4-ethoxyphenyl)-heptyl-dimethylsilane
CID 67899813
trimethoxy(4-methylicosyl)silane
CID 88743380
icosyl-dimethyl-phenylsilane
CID 91054385
[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-(11-ethylperoxyundecyl)-dimethylsilane
CID 155643997
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
trimethoxy(pentacontyl)silane
CID 87930715

Frequently Asked Questions

What is the IUPAC name of [4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane?
The IUPAC name of [4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane (CID 155609345) is [4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane.
What is the SMILES notation for [4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane?
The canonical SMILES for [4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane is CCCCCCCCCC(CC)[Si](C)(C)c1ccc([Si](C)(C)CC[Si](OC)(OC)OC)cc1.
What is the InChIKey of [4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane?
The InChIKey is BNZNJQBELKCMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54O3Si3/c1-10-12-13-14-15-16-17-18-25(11-2)32(8,9)27-21-19-26(20-22-27)31(6,7)23-24-33(28-3,29-4)30-5/h19-22,25H,10-18,23-24H2,1-9H3.
What are the key properties of [4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane?
[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane has a molecular weight of 510.98 g/mol, XLogP of 7.32, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane is sourced from PubChem (CID 155609345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).