(4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane

C22H42Si2 — CID 155609324

IUPAC(4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane
SMILESCCCCCCCCCC(CC)[Si](C)(C)c1ccc([SiH](C)C)cc1
InChIInChI=1S/C22H42Si2/c1-7-9-10-11-12-13-14-15-21(8-2)24(5,6)22-18-16-20(17-19-22)23(3)4/h16-19,21,23H,7-15H2,1-6H3
InChIKeySVKQIEZVKATIBA-UHFFFAOYSA-N
MW362.75 g/mol
LogP6.22
Rot. Bonds12

About (4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane

(4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane (PubChem CID 155609324) has the molecular formula C22H42Si2 and a molecular weight of 362.75 g/mol. Its IUPAC name is (4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane.

Molecular Properties

Compound Name(4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane
PubChem CID155609324
Molecular FormulaC22H42Si2
Molecular Weight362.75 g/mol
Exact Mass362.28
IUPAC Name(4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane
SMILESCCCCCCCCCC(CC)[Si](C)(C)c1ccc([SiH](C)C)cc1
InChIInChI=1S/C22H42Si2/c1-7-9-10-11-12-13-14-15-21(8-2)24(5,6)22-18-16-20(17-19-22)23(3)4/h16-19,21,23H,7-15H2,1-6H3
InChIKeySVKQIEZVKATIBA-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.75
LogP ≤ 56.22
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

[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
CID 155609345
[4-[dimethyl(3-trimethoxysilylpropyl)silyl]phenyl]-dodecan-3-yl-dimethylsilane
CID 155609338
(2S)-2-[dimethyl(phenyl)silyl]hexan-1-ol
CID 10752326
1-chlorohexyl-dimethyl-phenylsilane
CID 14984372
docosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane
CID 164810272
dodecan-2-yl(trimethyl)silane
CID 11425039
[11-[dimethyl(tridecyl)silyl]-1-dodecylnonadecyl]-dimethyl-tridecylsilane;14-ethyltriacontane
CID 165021856
4-(1-trimethylsilyloctyl)benzoic acid
CID 19763849
heptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane
CID 139902770
5-tridecan-7-yl-1,2-oxazole
CID 129119841
4-dodecan-3-ylphenol
CID 12820022
(4-decylphenyl)-trimethylsilane
CID 69331769

Frequently Asked Questions

What is the IUPAC name of (4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane?
The IUPAC name of (4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane (CID 155609324) is (4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane.
What is the SMILES notation for (4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane?
The canonical SMILES for (4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane is CCCCCCCCCC(CC)[Si](C)(C)c1ccc([SiH](C)C)cc1.
What is the InChIKey of (4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane?
The InChIKey is SVKQIEZVKATIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42Si2/c1-7-9-10-11-12-13-14-15-21(8-2)24(5,6)22-18-16-20(17-19-22)23(3)4/h16-19,21,23H,7-15H2,1-6H3.
What are the key properties of (4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane?
(4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane has a molecular weight of 362.75 g/mol, XLogP of 6.22, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dimethylsilylphenyl)-dodecan-3-yl-dimethylsilane is sourced from PubChem (CID 155609324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).