docosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane

C74H154Si2 — CID 164810272

IUPACdocosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane
SMILESCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCC)[Si](C)(C)C(CCCCCCCCCC)CCCCCCCCCCC)[Si](C)(C)C
InChIInChI=1S/C74H154Si2/c1-10-14-18-22-26-30-40-45-49-54-60-66-72(75(5,6)7)67-61-55-50-46-41-38-36-34-32-31-33-35-37-39-42-47-53-59-65-71-74(70-64-58-52-44-28-24-20-16-12-3)76(8,9)73(68-62-56-48-29-25-21-17-13-4)69-63-57-51-43-27-23-19-15-11-2/h72-74H,10-71H2,1-9H3
InChIKeyZIHKUIBWICZRAT-UHFFFAOYSA-N
MW1100.22 g/mol
LogP29.41
Rot. Bonds66

About docosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane

docosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane (PubChem CID 164810272) has the molecular formula C74H154Si2 and a molecular weight of 1100.22 g/mol. Its IUPAC name is docosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane.

Molecular Properties

Compound Namedocosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane
PubChem CID164810272
Molecular FormulaC74H154Si2
Molecular Weight1100.22 g/mol
Exact Mass1099.16
IUPAC Namedocosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane
SMILESCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCC)[Si](C)(C)C(CCCCCCCCCC)CCCCCCCCCCC)[Si](C)(C)C
InChIInChI=1S/C74H154Si2/c1-10-14-18-22-26-30-40-45-49-54-60-66-72(75(5,6)7)67-61-55-50-46-41-38-36-34-32-31-33-35-37-39-42-47-53-59-65-71-74(70-64-58-52-44-28-24-20-16-12-3)76(8,9)73(68-62-56-48-29-25-21-17-13-4)69-63-57-51-43-27-23-19-15-11-2/h72-74H,10-71H2,1-9H3
InChIKeyZIHKUIBWICZRAT-UHFFFAOYSA-N
XLogP29.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds66
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001100.22
LogP ≤ 529.41
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

dec-1-yn-5-yl(trimethyl)silane
CID 174999059
dodecan-2-yl(trimethyl)silane
CID 11425039
1-trimethylsilylheptan-1-ol
CID 12599219
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
[11-[dimethyl(tridecyl)silyl]-1-dodecylnonadecyl]-dimethyl-tridecylsilane;14-ethyltriacontane
CID 165021856
tris[dimethyl(tridecan-7-yl)silyl] phosphate
CID 156853005
13-pentylpentacosane
CID 91804884
17-pentadecyltritriacontane
CID 173257606
23-pentyloctatetracontane
CID 90998666
7-pentyltetracosane
CID 91021095
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198

Frequently Asked Questions

What is the IUPAC name of docosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane?
The IUPAC name of docosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane (CID 164810272) is docosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane.
What is the SMILES notation for docosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane?
The canonical SMILES for docosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane is CCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCC)[Si](C)(C)C(CCCCCCCCCC)CCCCCCCCCCC)[Si](C)(C)C.
What is the InChIKey of docosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane?
The InChIKey is ZIHKUIBWICZRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H154Si2/c1-10-14-18-22-26-30-40-45-49-54-60-66-72(75(5,6)7)67-61-55-50-46-41-38-36-34-32-31-33-35-37-39-42-47-53-59-65-71-74(70-64-58-52-44-28-24-20-16-12-3)76(8,9)73(68-62-56-48-29-25-21-17-13-4)69-63-57-51-43-27-23-19-15-11-2/h72-74H,10-71H2,1-9H3.
What are the key properties of docosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane?
docosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane has a molecular weight of 1100.22 g/mol, XLogP of 29.41, 66 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for docosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane is sourced from PubChem (CID 164810272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).