heptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane

C70H146OSi2 — CID 139902770

IUPACheptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane
SMILESCCCCCCCCC[Si](CCCCCCCCC)(O[Si](CCCCCCCCC)(CCCCCCCCC)C(CCCCCCCC)CCCCCCCC)C(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C70H146OSi2/c1-9-17-25-33-41-49-57-65-72(66-58-50-42-34-26-18-10-2,69(61-53-45-37-29-21-13-5)62-54-46-38-30-22-14-6)71-73(67-59-51-43-35-27-19-11-3,68-60-52-44-36-28-20-12-4)70(63-55-47-39-31-23-15-7)64-56-48-40-32-24-16-8/h69-70H,9-68H2,1-8H3
InChIKeyNOHSWZTWGYGQGW-UHFFFAOYSA-N
MW1060.11 g/mol
LogP27.64
Rot. Bonds64

About heptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane

heptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane (PubChem CID 139902770) has the molecular formula C70H146OSi2 and a molecular weight of 1060.11 g/mol. Its IUPAC name is heptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane.

Molecular Properties

Compound Nameheptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane
PubChem CID139902770
Molecular FormulaC70H146OSi2
Molecular Weight1060.11 g/mol
Exact Mass1059.09
IUPAC Nameheptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane
SMILESCCCCCCCCC[Si](CCCCCCCCC)(O[Si](CCCCCCCCC)(CCCCCCCCC)C(CCCCCCCC)CCCCCCCC)C(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C70H146OSi2/c1-9-17-25-33-41-49-57-65-72(66-58-50-42-34-26-18-10-2,69(61-53-45-37-29-21-13-5)62-54-46-38-30-22-14-6)71-73(67-59-51-43-35-27-19-11-3,68-60-52-44-36-28-20-12-4)70(63-55-47-39-31-23-15-7)64-56-48-40-32-24-16-8/h69-70H,9-68H2,1-8H3
InChIKeyNOHSWZTWGYGQGW-UHFFFAOYSA-N
XLogP27.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds64
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.11
LogP ≤ 527.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

[11-[dimethyl(tridecyl)silyl]-1-dodecylnonadecyl]-dimethyl-tridecylsilane;14-ethyltriacontane
CID 165021856
decyl-[hexyl(dimethyl)silyl]oxy-dimethylsilane
CID 139697813
[dimethyl(tricosyl)silyl]oxy-dimethyl-tricosylsilane
CID 141102746
heptyl-[heptyl(dimethyl)silyl]oxy-dimethylsilane
CID 12566776
docosan-11-yl-dimethyl-(23-trimethylsilyl-1-undecylhexatriacontyl)silane
CID 164810272
[dimethyl(4-methylpentadecyl)silyl]oxy-[dimethyl(octadecyl)silyl]oxy-dimethylsilane
CID 90875295
trifluoro(tridecyl)silane
CID 537319
1-phosphanylundecylphosphane
CID 23414194
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
6-propyltetracosane
CID 91039357

Frequently Asked Questions

What is the IUPAC name of heptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane?
The IUPAC name of heptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane (CID 139902770) is heptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane.
What is the SMILES notation for heptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane?
The canonical SMILES for heptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane is CCCCCCCCC[Si](CCCCCCCCC)(O[Si](CCCCCCCCC)(CCCCCCCCC)C(CCCCCCCC)CCCCCCCC)C(CCCCCCCC)CCCCCCCC.
What is the InChIKey of heptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane?
The InChIKey is NOHSWZTWGYGQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H146OSi2/c1-9-17-25-33-41-49-57-65-72(66-58-50-42-34-26-18-10-2,69(61-53-45-37-29-21-13-5)62-54-46-38-30-22-14-6)71-73(67-59-51-43-35-27-19-11-3,68-60-52-44-36-28-20-12-4)70(63-55-47-39-31-23-15-7)64-56-48-40-32-24-16-8/h69-70H,9-68H2,1-8H3.
What are the key properties of heptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane?
heptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane has a molecular weight of 1060.11 g/mol, XLogP of 27.64, 64 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecan-9-yl-[heptadecan-9-yl-di(nonyl)silyl]oxy-di(nonyl)silane is sourced from PubChem (CID 139902770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).