1-[diheptyl-(triheptylsilylamino)silyl]heptane

C42H91NSi2 — CID 170745053

IUPAC1-[diheptyl-(triheptylsilylamino)silyl]heptane
SMILESCCCCCCC[Si](CCCCCCC)(CCCCCCC)N[Si](CCCCCCC)(CCCCCCC)CCCCCCC
InChIInChI=1S/C42H91NSi2/c1-7-13-19-25-31-37-44(38-32-26-20-14-8-2,39-33-27-21-15-9-3)43-45(40-34-28-22-16-10-4,41-35-29-23-17-11-5)42-36-30-24-18-12-6/h43H,7-42H2,1-6H3
InChIKeyRNCPLGDPPJGTRM-UHFFFAOYSA-N
MW666.37 g/mol
LogP16.29
Rot. Bonds38

About 1-[diheptyl-(triheptylsilylamino)silyl]heptane

1-[diheptyl-(triheptylsilylamino)silyl]heptane (PubChem CID 170745053) has the molecular formula C42H91NSi2 and a molecular weight of 666.37 g/mol. Its IUPAC name is 1-[diheptyl-(triheptylsilylamino)silyl]heptane.

Molecular Properties

Compound Name1-[diheptyl-(triheptylsilylamino)silyl]heptane
PubChem CID170745053
Molecular FormulaC42H91NSi2
Molecular Weight666.37 g/mol
Exact Mass665.67
IUPAC Name1-[diheptyl-(triheptylsilylamino)silyl]heptane
SMILESCCCCCCC[Si](CCCCCCC)(CCCCCCC)N[Si](CCCCCCC)(CCCCCCC)CCCCCCC
InChIInChI=1S/C42H91NSi2/c1-7-13-19-25-31-37-44(38-32-26-20-14-8-2,39-33-27-21-15-9-3)43-45(40-34-28-22-16-10-4,41-35-29-23-17-11-5)42-36-30-24-18-12-6/h43H,7-42H2,1-6H3
InChIKeyRNCPLGDPPJGTRM-UHFFFAOYSA-N
XLogP16.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds38
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.37
LogP ≤ 516.29
H-Bond Donors ≤ 51
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

1-[[[decyl(dimethyl)silyl]amino]-dimethylsilyl]decane
CID 86020332
1-[[[heptyl(dimethyl)silyl]amino]-dimethylsilyl]heptane
CID 12566779
butyl-dihexyl-octylsilane
CID 168803297
decyl-hexadecyl-methyl-octylsilane
CID 14474508
N-[dimethyl(octadecyl)silyl]methanamine
CID 87605583
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
henoctacontane
CID 22086342
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
decane;heptane
CID 159049036
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of 1-[diheptyl-(triheptylsilylamino)silyl]heptane?
The IUPAC name of 1-[diheptyl-(triheptylsilylamino)silyl]heptane (CID 170745053) is 1-[diheptyl-(triheptylsilylamino)silyl]heptane.
What is the SMILES notation for 1-[diheptyl-(triheptylsilylamino)silyl]heptane?
The canonical SMILES for 1-[diheptyl-(triheptylsilylamino)silyl]heptane is CCCCCCC[Si](CCCCCCC)(CCCCCCC)N[Si](CCCCCCC)(CCCCCCC)CCCCCCC.
What is the InChIKey of 1-[diheptyl-(triheptylsilylamino)silyl]heptane?
The InChIKey is RNCPLGDPPJGTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H91NSi2/c1-7-13-19-25-31-37-44(38-32-26-20-14-8-2,39-33-27-21-15-9-3)43-45(40-34-28-22-16-10-4,41-35-29-23-17-11-5)42-36-30-24-18-12-6/h43H,7-42H2,1-6H3.
What are the key properties of 1-[diheptyl-(triheptylsilylamino)silyl]heptane?
1-[diheptyl-(triheptylsilylamino)silyl]heptane has a molecular weight of 666.37 g/mol, XLogP of 16.29, 38 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diheptyl-(triheptylsilylamino)silyl]heptane is sourced from PubChem (CID 170745053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).